PubChemLite - Myxalamide d (C23H35NO3)

Structural Information

Molecular Formula

SMILES

C/C=C(\C)/C(C(C)/C=C(\C)/C=C/C=C/C=C/C=C(\C)/C(=O)NC(C)CO)O

InChI

InChI=1S/C23H35NO3/c1-7-18(3)22(26)20(5)15-17(2)13-11-9-8-10-12-14-19(4)23(27)24-21(6)16-25/h7-15,20-22,25-26H,16H2,1-6H3,(H,24,27)/b9-8+,12-10+,13-11+,17-15+,18-7+,19-14+

InChIKey

SJFXXCHPVOUCOT-NNUNTBLTSA-N

Compound name

(2E,4E,6E,8E,10E,14E)-13-hydroxy-N-(1-hydroxypropan-2-yl)-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide

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]+	374.26898	201.1
[M+Na]+	396.25092	200.7
[M-H]-	372.25442	196.4
[M+NH4]+	391.29552	204.1
[M+K]+	412.22486	195.4
[M+H-H2O]+	356.25896	194.9
[M+HCOO]-	418.25990	196.5
[M+CH3COO]-	432.27555	219.5
[M+Na-2H]-	394.23637	190.1
[M]+	373.26115	198.5
[M]-	373.26225	198.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

374.26898

201.1

[M+Na]+

396.25092

200.7

[M-H]-

372.25442

196.4

[M+NH4]+

391.29552

204.1

[M+K]+

412.22486

195.4

[M+H-H2O]+

356.25896

194.9

[M+HCOO]-

418.25990

196.5

[M+CH3COO]-

432.27555

219.5

[M+Na-2H]-

394.23637

190.1

[M]+

373.26115

198.5

[M]-

373.26225

198.5

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

Myxalamide d

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe