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
3
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 181.3
[M+NH4]+ 377.03324 177.0
[M+K]+ 397.96258 179.5
[M-H]- 357.99214 172.7
[M+Na-2H]- 379.97409 177.0
[M]+ 358.99887 175.4
[M]- 358.99997 175.4
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.