CID 3721176

N-(diphenylmethyl)phthalamic acid

Structural Information

Molecular Formula
C21H17NO3
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C21H17NO3/c23-20(17-13-7-8-14-18(17)21(24)25)22-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H,(H,22,23)(H,24,25)
InChIKey
VSICLTFAVYHARZ-UHFFFAOYSA-N
Compound name
2-(benzhydrylcarbamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

331.12085 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.12813 177.8
[M+Na]+ 354.11007 181.5
[M-H]- 330.11357 185.5
[M+NH4]+ 349.15467 189.1
[M+K]+ 370.08401 176.9
[M+H-H2O]+ 314.11811 168.4
[M+HCOO]- 376.11905 198.5
[M+CH3COO]- 390.13470 209.3
[M+Na-2H]- 352.09552 180.3
[M]+ 331.12030 175.3
[M]- 331.12140 175.3
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