CID 139595163

2-(n-((4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl)sulfamoyl)-n,n-dimethylnicotinamide

Structural Information

Molecular Formula
C14H16N6O6S
SMILES
CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=O)N2)OC
InChI
InChI=1S/C14H16N6O6S/c1-20(2)12(22)8-5-4-6-15-11(8)27(24,25)19-14(23)18-13-16-9(21)7-10(17-13)26-3/h4-7H,1-3H3,(H3,16,17,18,19,21,23)
InChIKey
GWSGLOGPJIZRSQ-UHFFFAOYSA-N
Compound name
2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

396.0852 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.09248 186.1
[M+Na]+ 419.07442 192.2
[M-H]- 395.07792 189.7
[M+NH4]+ 414.11902 192.1
[M+K]+ 435.04836 189.5
[M+H-H2O]+ 379.08246 176.4
[M+HCOO]- 441.08340 201.7
[M+CH3COO]- 455.09905 223.6
[M+Na-2H]- 417.05987 190.4
[M]+ 396.08465 189.8
[M]- 396.08575 189.8
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.