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]+ 374.02236 179.9
[M+Na]+ 396.00430 187.8
[M-H]- 372.00780 182.2
[M+NH4]+ 391.04890 188.8
[M+K]+ 411.97824 182.9
[M+H-H2O]+ 356.01234 172.6
[M+HCOO]- 418.01328 190.4
[M+CH3COO]- 432.02893 210.0
[M+Na-2H]- 393.98975 181.6
[M]+ 373.01453 183.7
[M]- 373.01563 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.