CID 3058394

2,5,5-triphenylpentanoic acid

Structural Information

Molecular Formula
C23H22O2
SMILES
C1=CC=C(C=C1)C(CCC(C2=CC=CC=C2)C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C23H22O2/c24-23(25)22(20-14-8-3-9-15-20)17-16-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,21-22H,16-17H2,(H,24,25)
InChIKey
ARFZWUGFQUYTPY-UHFFFAOYSA-N
Compound name
2,5,5-triphenylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.162 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.16928 181.2
[M+Na]+ 353.15122 183.8
[M-H]- 329.15472 188.1
[M+NH4]+ 348.19582 192.7
[M+K]+ 369.12516 178.4
[M+H-H2O]+ 313.15926 171.7
[M+HCOO]- 375.16020 199.7
[M+CH3COO]- 389.17585 208.2
[M+Na-2H]- 351.13667 182.7
[M]+ 330.16145 178.9
[M]- 330.16255 178.9
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.