CID 13176578

Schembl9419172

Structural Information

Molecular Formula
C15H16N4O6S
SMILES
CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)OC
InChI
InChI=1S/C15H16N4O6S/c1-9-8-12(24-2)17-14(16-9)18-15(21)19-26(22,23)11-7-5-4-6-10(11)13(20)25-3/h4-8H,1-3H3,(H2,16,17,18,19,21)
InChIKey
ROMOGGCGPSCILE-UHFFFAOYSA-N
Compound name
methyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

380.07904 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.08632 184.0
[M+Na]+ 403.06826 190.8
[M-H]- 379.07176 188.7
[M+NH4]+ 398.11286 192.6
[M+K]+ 419.04220 188.1
[M+H-H2O]+ 363.07630 174.7
[M+HCOO]- 425.07724 200.5
[M+CH3COO]- 439.09289 217.8
[M+Na-2H]- 401.05371 187.7
[M]+ 380.07849 189.7
[M]- 380.07959 189.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe