CID 45055101

2-(2-(4-chloro-3-nitrobenzylidene)hydrazino)-n-(4-ethylphenyl)-2-oxoacetamide

Structural Information

Molecular Formula
C17H15ClN4O4
SMILES
CCC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C17H15ClN4O4/c1-2-11-3-6-13(7-4-11)20-16(23)17(24)21-19-10-12-5-8-14(18)15(9-12)22(25)26/h3-10H,2H2,1H3,(H,20,23)(H,21,24)/b19-10+
InChIKey
DNLMGQDTJYXXNA-VXLYETTFSA-N
Compound name
N'-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-N-(4-ethylphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.0782 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.08548 183.9
[M+Na]+ 397.06742 195.7
[M+NH4]+ 392.11202 189.5
[M+K]+ 413.04136 191.7
[M-H]- 373.07092 189.4
[M+Na-2H]- 395.05287 190.5
[M]+ 374.07765 186.9
[M]- 374.07875 186.9
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.