CID 5288209

Fenretinide

Structural Information

Molecular Formula
C26H33NO2
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

compound 2d structure
6
Annotation Hits

914
References

26182
Patents

391.25113 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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 (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.