CID 3655259

N-[2-(benzoylamino)-4-nitrophenyl]benzamide

Structural Information

Molecular Formula
C20H15N3O4
SMILES
C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H15N3O4/c24-19(14-7-3-1-4-8-14)21-17-12-11-16(23(26)27)13-18(17)22-20(25)15-9-5-2-6-10-15/h1-13H,(H,21,24)(H,22,25)
InChIKey
MTUBWAMJLNCCHT-UHFFFAOYSA-N
Compound name
N-(2-benzamido-4-nitrophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

361.10626 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.11354 181.3
[M+Na]+ 384.09548 184.0
[M-H]- 360.09898 190.4
[M+NH4]+ 379.14008 190.8
[M+K]+ 400.06942 176.0
[M+H-H2O]+ 344.10352 175.4
[M+HCOO]- 406.10446 206.3
[M+CH3COO]- 420.12011 212.2
[M+Na-2H]- 382.08093 187.2
[M]+ 361.10571 177.7
[M]- 361.10681 177.7
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.