CID 3055777

72924-81-3

Structural Information

Molecular Formula
C24H24O3
SMILES
COC1=CC=C(C=C1)C(CCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C24H24O3/c1-27-21-14-12-20(13-15-21)23(24(25)26)17-16-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22-23H,16-17H2,1H3,(H,25,26)
InChIKey
UGRPZRYHSUVDMW-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-5,5-diphenylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.17255 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.17983 188.8
[M+Na]+ 383.16177 191.7
[M-H]- 359.16527 196.0
[M+NH4]+ 378.20637 199.3
[M+K]+ 399.13571 187.0
[M+H-H2O]+ 343.16981 179.0
[M+HCOO]- 405.17075 207.2
[M+CH3COO]- 419.18640 214.3
[M+Na-2H]- 381.14722 189.1
[M]+ 360.17200 188.6
[M]- 360.17310 188.6
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.