CID 45051519

2,4-dichloro-n-{4-[(2,4-dichlorobenzoyl)amino]-3-nitrophenyl}benzamide

Structural Information

Molecular Formula
C20H11Cl4N3O4
SMILES
C1=CC(=C(C=C1NC(=O)C2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-])NC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C20H11Cl4N3O4/c21-10-1-4-13(15(23)7-10)19(28)25-12-3-6-17(18(9-12)27(30)31)26-20(29)14-5-2-11(22)8-16(14)24/h1-9H,(H,25,28)(H,26,29)
InChIKey
CXXYESFMAHSHJY-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-[4-[(2,4-dichlorobenzoyl)amino]-3-nitrophenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.95038 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.95766 209.9
[M+Na]+ 519.93960 215.6
[M-H]- 495.94310 215.3
[M+NH4]+ 514.98420 216.5
[M+K]+ 535.91354 206.4
[M+H-H2O]+ 479.94764 208.0
[M+HCOO]- 541.94858 214.3
[M+CH3COO]- 555.96423 232.7
[M+Na-2H]- 517.92505 208.7
[M]+ 496.94983 212.9
[M]- 496.95093 212.9
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.