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

4
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

patents stripe