CID 1381899

294890-34-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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

No patent data available for this compound.