CID 6446537

Methanamine, n-(3-(1-methyl-2-nitro-1h-imidazol-5-yl)-2-propenylidene)-, n-oxide, (e)-

Structural Information

Molecular Formula
C8H10N4O3
SMILES
CN1C(=CN=C1[N+](=O)[O-])/C=C/C=[N+](/C)\[O-]
InChI
InChI=1S/C8H10N4O3/c1-10(13)5-3-4-7-6-9-8(11(7)2)12(14)15/h3-6H,1-2H3/b4-3+,10-5-
InChIKey
HCPVYAGIRFNOIH-STMOGGTPSA-N
Compound name
(E)-N-methyl-3-(3-methyl-2-nitroimidazol-4-yl)prop-2-en-1-imine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

210.07529 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.082566 147.9
[M+Na]+ 233.064508 155.1
[M-H]- 209.068014 149.6
[M+NH4]+ 228.109113 164.0
[M+K]+ 249.038448 144.9
[M+H-H2O]+ 193.072550 149.7
[M+HCOO]- 255.073491 172.3
[M+CH3COO]- 269.089141 175.7
[M+Na-2H]- 231.049956 155.6
[M]+ 210.07474142 144.4
[M]- 210.07583858 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.