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]+ 360.006696 175.2
[M+Na]+ 381.988638 183.0
[M-H]- 357.992144 176.3
[M+NH4]+ 377.033243 183.9
[M+K]+ 397.962578 177.5
[M+H-H2O]+ 341.996680 168.3
[M+HCOO]- 403.997621 184.5
[M+CH3COO]- 418.013271 205.8
[M+Na-2H]- 379.974086 177.0
[M]+ 358.99887142 177.0
[M]- 358.99996858 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.