CID 9776927

N-(3-methoxyphenyl)-2-(2-(4-nitrobenzylidene)hydrazino)-2-oxoacetamide

Structural Information

Molecular Formula
C16H14N4O5
SMILES
COC1=CC=CC(=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H14N4O5/c1-25-14-4-2-3-12(9-14)18-15(21)16(22)19-17-10-11-5-7-13(8-6-11)20(23)24/h2-10H,1H3,(H,18,21)(H,19,22)/b17-10+
InChIKey
DQASLHBYZWUIDQ-LICLKQGHSA-N
Compound name
N-(3-methoxyphenyl)-N'-[(E)-(4-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]+ 343.103676 174.4
[M+Na]+ 365.085618 177.8
[M-H]- 341.089124 182.1
[M+NH4]+ 360.130223 185.7
[M+K]+ 381.059558 171.9
[M+H-H2O]+ 325.093660 169.1
[M+HCOO]- 387.094601 202.5
[M+CH3COO]- 401.110251 211.6
[M+Na-2H]- 363.071066 180.9
[M]+ 342.09585142 173.6
[M]- 342.09694858 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.