Dihydroxypropyl didehydrolatanoprostamide (C26H37NO6)

Structural Information

Molecular Formula

SMILES

C1[C@H](C([C@H](C1=O)C/C=C\CCCC(=O)NC(CO)CO)/C=C/[C@H](CCC2=CC=CC=C2)O)O

InChI

InChI=1S/C26H37NO6/c28-17-20(18-29)27-26(33)11-7-2-1-6-10-22-23(25(32)16-24(22)31)15-14-21(30)13-12-19-8-4-3-5-9-19/h1,3-6,8-9,14-15,20-23,25,28-30,32H,2,7,10-13,16-18H2,(H,27,33)/b6-1-,15-14+/t21-,22+,23?,25+/m0/s1

InChIKey

NYRITJWASKBGOC-YNIOAQSFSA-N

Compound name

(Z)-N-(1,3-dihydroxypropan-2-yl)-7-[(1R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopentyl]hept-5-enamide

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	215.4
[M+Na]+	482.251318	214.1
[M-H]-	458.254824	214.4
[M+NH4]+	477.295923	221.9
[M+K]+	498.225258	208.2
[M+H-H2O]+	442.259360	207.4
[M+HCOO]-	504.260301	227.3
[M+CH3COO]-	518.275951	228.1
[M+Na-2H]-	480.236766	206.7
[M]+	459.26155142	213.1
[M]-	459.26264858	213.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

460.269376

215.4

[M+Na]+

482.251318

214.1

[M-H]-

458.254824

214.4

[M+NH4]+

477.295923

221.9

[M+K]+

498.225258

208.2

[M+H-H2O]+

442.259360

207.4

[M+HCOO]-

504.260301

227.3

[M+CH3COO]-

518.275951

228.1

[M+Na-2H]-

480.236766

206.7

[M]+

459.26155142

213.1

[M]-

459.26264858

213.1

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

Dihydroxypropyl didehydrolatanoprostamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe