CID 136825156

Dtxsid801028714

Structural Information

Molecular Formula
C10H9N5O6S2
SMILES
CC1=NC(=NC(=O)N1)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O
InChI
InChI=1S/C10H9N5O6S2/c1-4-11-8(13-9(18)12-4)14-10(19)15-23(20,21)5-2-3-22-6(5)7(16)17/h2-3H,1H3,(H,16,17)(H3,11,12,13,14,15,18,19)
InChIKey
UMLCJPSDEOEISZ-UHFFFAOYSA-N
Compound name
3-[(2-methyl-6-oxo-1H-1,3,5-triazin-4-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

358.99942 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.00670 175.2
[M+Na]+ 381.98864 183.0
[M-H]- 357.99214 176.3
[M+NH4]+ 377.03324 183.9
[M+K]+ 397.96258 177.5
[M+H-H2O]+ 341.99668 168.3
[M+HCOO]- 403.99762 184.5
[M+CH3COO]- 418.01327 205.8
[M+Na-2H]- 379.97409 177.0
[M]+ 358.99887 177.0
[M]- 358.99997 177.0
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.