CID 11199337

Gsk232802

Structural Information

Molecular Formula
C24H28O3
SMILES
CC1(CC(=C(C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)O)CC(C1)(C)C)C
InChI
InChI=1S/C24H28O3/c1-23(2)13-19(14-24(3,4)15-23)21(17-9-11-20(25)12-10-17)16-5-7-18(8-6-16)22(26)27/h5-12,25H,13-15H2,1-4H3,(H,26,27)
InChIKey
KNQLNDPHLXIOCY-UHFFFAOYSA-N
Compound name
4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

364.20386 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.211136 189.0
[M+Na]+ 387.193078 194.3
[M-H]- 363.196584 195.7
[M+NH4]+ 382.237683 203.8
[M+K]+ 403.167018 189.2
[M+H-H2O]+ 347.201120 181.6
[M+HCOO]- 409.202061 203.0
[M+CH3COO]- 423.217711 213.7
[M+Na-2H]- 385.178526 187.7
[M]+ 364.20331142 185.0
[M]- 364.20440858 185.0
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

patents stripe