CID 4216524

2-[[3-[(2,2-diphenylacetyl)amino]benzoyl]amino]benzoic acid

Structural Information

Molecular Formula
C28H22N2O4
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=CC=CC=C4C(=O)O
InChI
InChI=1S/C28H22N2O4/c31-26(30-24-17-8-7-16-23(24)28(33)34)21-14-9-15-22(18-21)29-27(32)25(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-18,25H,(H,29,32)(H,30,31)(H,33,34)
InChIKey
BRIWSNIWSPFJQD-UHFFFAOYSA-N
Compound name
2-[[3-[(2,2-diphenylacetyl)amino]benzoyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

450.15796 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.16524 207.4
[M+Na]+ 473.14718 208.6
[M-H]- 449.15068 217.5
[M+NH4]+ 468.19178 212.5
[M+K]+ 489.12112 203.8
[M+H-H2O]+ 433.15522 195.7
[M+HCOO]- 495.15616 226.9
[M+CH3COO]- 509.17181 234.4
[M+Na-2H]- 471.13263 207.8
[M]+ 450.15741 204.1
[M]- 450.15851 204.1
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

patents stripe