CID 22244676

4,6-dimethylpyrimidine-2-sulfonamide

Structural Information

Molecular Formula
C6H9N3O2S
SMILES
CC1=CC(=NC(=N1)S(=O)(=O)N)C
InChI
InChI=1S/C6H9N3O2S/c1-4-3-5(2)9-6(8-4)12(7,10)11/h3H,1-2H3,(H2,7,10,11)
InChIKey
JRDPRXWPTQTRLO-UHFFFAOYSA-N
Compound name
4,6-dimethylpyrimidine-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

187.04155 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.04883 136.9
[M+Na]+ 210.03077 147.5
[M-H]- 186.03427 138.5
[M+NH4]+ 205.07537 154.4
[M+K]+ 226.00471 144.5
[M+H-H2O]+ 170.03881 130.5
[M+HCOO]- 232.03975 154.0
[M+CH3COO]- 246.05540 180.7
[M+Na-2H]- 208.01622 141.8
[M]+ 187.04100 138.6
[M]- 187.04210 138.6
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