CID 10067357

6-hydroxy bexarotene

Structural Information

Molecular Formula
C24H28O3
SMILES
CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CC(C2(C)C)O)(C)C
InChI
InChI=1S/C24H28O3/c1-14-11-20-19(23(3,4)13-21(25)24(20,5)6)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
WTWGVKDCAJSUBZ-UHFFFAOYSA-N
Compound name
4-[1-(6-hydroxy-3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
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]+ 365.211136 186.5
[M+Na]+ 387.193078 194.5
[M-H]- 363.196584 191.8
[M+NH4]+ 382.237683 203.2
[M+K]+ 403.167018 189.3
[M+H-H2O]+ 347.201120 180.2
[M+HCOO]- 409.202061 200.1
[M+CH3COO]- 423.217711 218.3
[M+Na-2H]- 385.178526 185.8
[M]+ 364.20331142 186.2
[M]- 364.20440858 186.2
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.