CID 3058395

75226-93-6

Structural Information

Molecular Formula
C24H24O2
SMILES
CC1=CC=C(C=C1)C(CCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C24H24O2/c1-18-12-14-21(15-13-18)23(24(25)26)17-16-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22-23H,16-17H2,1H3,(H,25,26)
InChIKey
NIEQSZBDVRCUPF-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-5,5-diphenylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.17764 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18492 185.5
[M+Na]+ 367.16686 188.6
[M-H]- 343.17036 192.6
[M+NH4]+ 362.21146 196.7
[M+K]+ 383.14080 183.1
[M+H-H2O]+ 327.17490 175.9
[M+HCOO]- 389.17584 203.7
[M+CH3COO]- 403.19149 212.3
[M+Na-2H]- 365.15231 185.7
[M]+ 344.17709 183.9
[M]- 344.17819 183.9
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

No patent data available for this compound.