[(2z,4z,8z,10z,15z)-7-hydroxy-12-(2-hydroxypropanoylamino)-4,10,13,15-tetramethyl-14-oxocycloheptadeca-2,4,8,10,15-pentaen-1-yl] acetate (C26H37NO6)

Structural Information

Molecular Formula

SMILES

CC1C(/C=C(\C=C/C(C/C=C(\C=C/C(C/C=C(\C1=O)/C)OC(=O)C)/C)O)/C)NC(=O)C(C)O

InChI

InChI=1S/C26H37NO6/c1-16-7-11-22(30)12-8-17(2)15-24(27-26(32)20(5)28)19(4)25(31)18(3)10-14-23(13-9-16)33-21(6)29/h7-10,12-13,15,19-20,22-24,28,30H,11,14H2,1-6H3,(H,27,32)/b12-8-,13-9-,16-7-,17-15-,18-10-

InChIKey

CHSNOFZXJPAESZ-LYAMDJHESA-N

Compound name

[(2Z,4Z,8Z,10Z,15Z)-7-hydroxy-12-(2-hydroxypropanoylamino)-4,10,13,15-tetramethyl-14-oxocycloheptadeca-2,4,8,10,15-pentaen-1-yl] acetate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	460.269376	209.3
[M+Na]+	482.251318	213.3
[M-H]-	458.254824	210.1
[M+NH4]+	477.295923	214.0
[M+K]+	498.225258	211.4
[M+H-H2O]+	442.259360	206.3
[M+HCOO]-	504.260301	222.9
[M+CH3COO]-	518.275951	229.1
[M+Na-2H]-	480.236766	200.7
[M]+	459.26155142	206.7
[M]-	459.26264858	206.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

460.269376

209.3

[M+Na]+

482.251318

213.3

[M-H]-

458.254824

210.1

[M+NH4]+

477.295923

214.0

[M+K]+

498.225258

211.4

[M+H-H2O]+

442.259360

206.3

[M+HCOO]-

504.260301

222.9

[M+CH3COO]-

518.275951

229.1

[M+Na-2H]-

480.236766

200.7

[M]+

459.26155142

206.7

[M]-

459.26264858

206.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

[(2z,4z,8z,10z,15z)-7-hydroxy-12-(2-hydroxypropanoylamino)-4,10,13,15-tetramethyl-14-oxocycloheptadeca-2,4,8,10,15-pentaen-1-yl] acetate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe