CID 136670058

150258-68-7

Structural Information

Molecular Formula
C11H11N5O6S2
SMILES
CC1=NC(=NC(=O)N1)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC
InChI
InChI=1S/C11H11N5O6S2/c1-5-12-9(14-10(18)13-5)15-11(19)16-24(20,21)6-3-4-23-7(6)8(17)22-2/h3-4H,1-2H3,(H3,12,13,14,15,16,18,19)
InChIKey
GKVBQTUDNBQJLK-UHFFFAOYSA-N
Compound name
methyl 3-[(2-methyl-6-oxo-1H-1,3,5-triazin-4-yl)carbamoylsulfamoyl]thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

373.01508 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.022356 179.9
[M+Na]+ 396.004298 187.8
[M-H]- 372.007804 182.2
[M+NH4]+ 391.048903 188.8
[M+K]+ 411.978238 182.9
[M+H-H2O]+ 356.012340 172.6
[M+HCOO]- 418.013281 190.4
[M+CH3COO]- 432.028931 210.0
[M+Na-2H]- 393.989746 181.6
[M]+ 373.01453142 183.7
[M]- 373.01562858 183.7
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.