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 183.4
[M+Na]+ 399.04665 188.2
[M-H]- 375.05015 191.1
[M+NH4]+ 394.09125 194.5
[M+K]+ 415.02059 180.9
[M+H-H2O]+ 359.05469 179.5
[M+HCOO]- 421.05563 207.0
[M+CH3COO]- 435.07128 216.4
[M+Na-2H]- 397.03210 188.5
[M]+ 376.05688 185.5
[M]- 376.05798 185.5
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.