CID 45051516

2-chloro-n-(2-((2-chlorobenzoyl)amino)-4-nitrophenyl)benzamide

Structural Information

Molecular Formula
C20H13Cl2N3O4
SMILES
C1=CC=C(C(=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3Cl)Cl
InChI
InChI=1S/C20H13Cl2N3O4/c21-15-7-3-1-5-13(15)19(26)23-17-10-9-12(25(28)29)11-18(17)24-20(27)14-6-2-4-8-16(14)22/h1-11H,(H,23,26)(H,24,27)
InChIKey
PGPXBDNFWFYPDA-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-[(2-chlorobenzoyl)amino]-4-nitrophenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.02832 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.03560 197.4
[M+Na]+ 452.01754 202.5
[M-H]- 428.02104 205.8
[M+NH4]+ 447.06214 206.2
[M+K]+ 467.99148 192.6
[M+H-H2O]+ 412.02558 193.7
[M+HCOO]- 474.02652 212.8
[M+CH3COO]- 488.04217 222.1
[M+Na-2H]- 450.00299 200.2
[M]+ 429.02777 199.1
[M]- 429.02887 199.1
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.