CID 9570946

P-(p-chlorobenzamido)benzoic acid 2-(m-nitrobenzylidene)hydrazide

Structural Information

Molecular Formula
C21H15ClN4O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])/C=N/NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H15ClN4O4/c22-17-8-4-15(5-9-17)20(27)24-18-10-6-16(7-11-18)21(28)25-23-13-14-2-1-3-19(12-14)26(29)30/h1-13H,(H,24,27)(H,25,28)/b23-13+
InChIKey
FPJNBWBCPRPJTP-YDZHTSKRSA-N
Compound name
4-[(4-chlorobenzoyl)amino]-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.0782 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.08548 197.9
[M+Na]+ 445.06742 201.3
[M-H]- 421.07092 208.0
[M+NH4]+ 440.11202 206.3
[M+K]+ 461.04136 192.2
[M+H-H2O]+ 405.07546 192.2
[M+HCOO]- 467.07640 220.6
[M+CH3COO]- 481.09205 225.8
[M+Na-2H]- 443.05287 202.8
[M]+ 422.07765 198.0
[M]- 422.07875 198.0
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.