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 163.1
[M+Na]+ 311.07507 170.4
[M-H]- 287.07857 168.2
[M+NH4]+ 306.11967 176.7
[M+K]+ 327.04901 163.0
[M+H-H2O]+ 271.08311 159.3
[M+HCOO]- 333.08405 186.5
[M+CH3COO]- 347.09970 195.5
[M+Na-2H]- 309.06052 166.9
[M]+ 288.08530 161.2
[M]- 288.08640 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.