CID 983343

10132-09-9

Structural Information

Molecular Formula
C14H16N4O6S
SMILES
COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)OC)OC
InChI
InChI=1S/C14H16N4O6S/c1-22-12-8-11(16-13(17-12)23-2)18-25(20,21)10-6-4-9(5-7-10)15-14(19)24-3/h4-8H,1-3H3,(H,15,19)(H,16,17,18)
InChIKey
WPLIQPBJRRXRKP-UHFFFAOYSA-N
Compound name
methyl N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

368.07904 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.08632 180.4
[M+Na]+ 391.06826 187.6
[M-H]- 367.07176 185.1
[M+NH4]+ 386.11286 189.6
[M+K]+ 407.04220 185.0
[M+H-H2O]+ 351.07630 170.9
[M+HCOO]- 413.07724 198.0
[M+CH3COO]- 427.09289 215.4
[M+Na-2H]- 389.05371 185.5
[M]+ 368.07849 187.1
[M]- 368.07959 187.1
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.