CID 71748830

7-hydroxy bexarotene

Structural Information

Molecular Formula
C24H28O3
SMILES
CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(C(CC2(C)C)O)(C)C
InChI
InChI=1S/C24H28O3/c1-14-11-19-20(24(5,6)21(25)13-23(19,3)4)12-18(14)15(2)16-7-9-17(10-8-16)22(26)27/h7-12,21,25H,2,13H2,1,3-6H3,(H,26,27)
InChIKey
ZXOXDVMWISJVGJ-UHFFFAOYSA-N
Compound name
4-[1-(7-hydroxy-3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.20386 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.21114 188.1
[M+Na]+ 387.19308 201.4
[M+NH4]+ 382.23768 198.0
[M+K]+ 403.16702 190.8
[M-H]- 363.19658 191.6
[M+Na-2H]- 385.17853 195.5
[M]+ 364.20331 191.4
[M]- 364.20441 191.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.