CID 10040599

Chembl2262934

Structural Information

Molecular Formula
C21H18O2
SMILES
CC1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)O
InChI
InChI=1S/C21H18O2/c1-15-18(14-21(22)23)12-19(16-8-4-2-5-9-16)13-20(15)17-10-6-3-7-11-17/h2-13H,14H2,1H3,(H,22,23)
InChIKey
YIPHRJJRJSKOFJ-UHFFFAOYSA-N
Compound name
2-(2-methyl-3,5-diphenylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

302.13068 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13796 173.0
[M+Na]+ 325.11990 189.9
[M+NH4]+ 320.16450 181.9
[M+K]+ 341.09384 180.6
[M-H]- 301.12340 180.1
[M+Na-2H]- 323.10535 184.4
[M]+ 302.13013 177.7
[M]- 302.13123 177.7
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.