PubChemLite - Fenretinide (C26H33NO2)

Structural Information

Molecular Formula

SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)NC2=CC=C(C=C2)O)/C)/C

InChI

InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+

InChIKey

AKJHMTWEGVYYSE-FXILSDISSA-N

Compound name

(2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

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]+	392.25841	200.1
[M+Na]+	414.24035	202.9
[M-H]-	390.24385	203.9
[M+NH4]+	409.28495	212.5
[M+K]+	430.21429	196.1
[M+H-H2O]+	374.24839	192.7
[M+HCOO]-	436.24933	215.5
[M+CH3COO]-	450.26498	223.7
[M+Na-2H]-	412.22580	195.5
[M]+	391.25058	196.6
[M]-	391.25168	196.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

392.25841

200.1

[M+Na]+

414.24035

202.9

[M-H]-

390.24385

203.9

[M+NH4]+

409.28495

212.5

[M+K]+

430.21429

196.1

[M+H-H2O]+

374.24839

192.7

[M+HCOO]-

436.24933

215.5

[M+CH3COO]-

450.26498

223.7

[M+Na-2H]-

412.22580

195.5

[M]+

391.25058

196.6

[M]-

391.25168

196.6

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

Fenretinide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe