CID 6435298

4-imidazolidinone, 2-acetylimino-1-methyl-5-(p-nitrobenzylidene)-

Structural Information

Molecular Formula
C13H12N4O4
SMILES
CC(=O)NC1=NC(=O)/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/N1C
InChI
InChI=1S/C13H12N4O4/c1-8(18)14-13-15-12(19)11(16(13)2)7-9-3-5-10(6-4-9)17(20)21/h3-7H,1-2H3,(H,14,15,18,19)/b11-7+
InChIKey
OGHIZHFOFUSLMU-YRNVUSSQSA-N
Compound name
N-[(5E)-1-methyl-5-[(4-nitrophenyl)methylidene]-4-oxoimidazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.08585 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.093126 163.1
[M+Na]+ 311.075068 170.4
[M-H]- 287.078574 168.2
[M+NH4]+ 306.119673 176.7
[M+K]+ 327.049008 163.0
[M+H-H2O]+ 271.083110 159.3
[M+HCOO]- 333.084051 186.5
[M+CH3COO]- 347.099701 195.5
[M+Na-2H]- 309.060516 166.9
[M]+ 288.08530142 161.2
[M]- 288.08639858 161.2
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.