CID 9630245

N-(4-methylphenyl)-2-(2-(4-nitrobenzylidene)hydrazino)-2-oxoacetamide

Structural Information

Molecular Formula
C16H14N4O4
SMILES
CC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H14N4O4/c1-11-2-6-13(7-3-11)18-15(21)16(22)19-17-10-12-4-8-14(9-5-12)20(23)24/h2-10H,1H3,(H,18,21)(H,19,22)/b17-10+
InChIKey
VDTXDBDEJGYKNA-LICLKQGHSA-N
Compound name
N-(4-methylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1015 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.10878 173.1
[M+Na]+ 349.09072 184.0
[M+NH4]+ 344.13532 178.7
[M+K]+ 365.06466 181.0
[M-H]- 325.09422 178.6
[M+Na-2H]- 347.07617 180.2
[M]+ 326.10095 175.7
[M]- 326.10205 175.7
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.