CID 9635509

N-(3-methoxyphenyl)-2-(2-(3-nitrobenzylidene)hydrazino)-2-oxoacetamide

Structural Information

Molecular Formula
C16H14N4O5
SMILES
COC1=CC=CC(=C1)NC(=O)C(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H14N4O5/c1-25-14-7-3-5-12(9-14)18-15(21)16(22)19-17-10-11-4-2-6-13(8-11)20(23)24/h2-10H,1H3,(H,18,21)(H,19,22)/b17-10+
InChIKey
XRWHKZVNEVSEBL-LICLKQGHSA-N
Compound name
N-(3-methoxyphenyl)-N'-[(E)-(3-nitrophenyl)methylideneamino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.0964 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.10368 174.4
[M+Na]+ 365.08562 177.8
[M-H]- 341.08912 182.1
[M+NH4]+ 360.13022 185.7
[M+K]+ 381.05956 171.9
[M+H-H2O]+ 325.09366 169.1
[M+HCOO]- 387.09460 202.5
[M+CH3COO]- 401.11025 211.6
[M+Na-2H]- 363.07107 180.9
[M]+ 342.09585 173.6
[M]- 342.09695 173.6
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.