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

21
Patents

364.20386 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.21114 189.0
[M+Na]+ 387.19308 194.3
[M-H]- 363.19658 195.7
[M+NH4]+ 382.23768 203.8
[M+K]+ 403.16702 189.2
[M+H-H2O]+ 347.20112 181.6
[M+HCOO]- 409.20206 203.0
[M+CH3COO]- 423.21771 213.7
[M+Na-2H]- 385.17853 187.7
[M]+ 364.20331 185.0
[M]- 364.20441 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