CID 45055134

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

Structural Information

Molecular Formula
C16H13ClN4O5
SMILES
COC1=CC=CC(=C1)NC(=O)C(=O)N/N=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C16H13ClN4O5/c1-26-12-4-2-3-11(8-12)19-15(22)16(23)20-18-9-10-5-6-13(17)14(7-10)21(24)25/h2-9H,1H3,(H,19,22)(H,20,23)/b18-9+
InChIKey
OCGKFRRVDJKGJP-GIJQJNRQSA-N
Compound name
N'-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.05743 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.06471 181.8
[M+Na]+ 399.04665 193.3
[M+NH4]+ 394.09125 187.0
[M+K]+ 415.02059 190.2
[M-H]- 375.05015 186.9
[M+Na-2H]- 397.03210 188.3
[M]+ 376.05688 184.7
[M]- 376.05798 184.7
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.