CID 6435298

Brn 0315555

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]+ 289.09313 162.9
[M+Na]+ 311.07507 174.1
[M+NH4]+ 306.11967 167.8
[M+K]+ 327.04901 174.1
[M-H]- 287.07857 165.1
[M+Na-2H]- 309.06052 167.2
[M]+ 288.08530 164.5
[M]- 288.08640 164.5
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.