CID 135463963

Brn 5586700

Structural Information

Molecular Formula
C6H8N4O5S
SMILES
CC1=NC(=C(N1)[N+](=O)[O-])S(=O)(=O)CC(=O)N
InChI
InChI=1S/C6H8N4O5S/c1-3-8-5(10(12)13)6(9-3)16(14,15)2-4(7)11/h2H2,1H3,(H2,7,11)(H,8,9)
InChIKey
CDOYXAOLASGRMY-UHFFFAOYSA-N
Compound name
2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfonyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.02155 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.02883 147.1
[M+Na]+ 271.01077 154.7
[M-H]- 247.01427 147.4
[M+NH4]+ 266.05537 161.6
[M+K]+ 286.98471 147.9
[M+H-H2O]+ 231.01881 145.3
[M+HCOO]- 293.01975 163.9
[M+CH3COO]- 307.03540 180.9
[M+Na-2H]- 268.99622 151.9
[M]+ 248.02100 145.5
[M]- 248.02210 145.5
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.