CID 66268601

5-(ethanesulfonyl)pyrimidin-4-amine hydrochloride

Structural Information

Molecular Formula
C6H9N3O2S
SMILES
CCS(=O)(=O)C1=CN=CN=C1N
InChI
InChI=1S/C6H9N3O2S/c1-2-12(10,11)5-3-8-4-9-6(5)7/h3-4H,2H2,1H3,(H2,7,8,9)
InChIKey
DGUYGPVXCSIGKV-UHFFFAOYSA-N
Compound name
5-ethylsulfonylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.04155 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.048826 136.9
[M+Na]+ 210.030768 146.7
[M-H]- 186.034274 138.1
[M+NH4]+ 205.075373 154.2
[M+K]+ 226.004708 143.6
[M+H-H2O]+ 170.038810 130.3
[M+HCOO]- 232.039751 154.2
[M+CH3COO]- 246.055401 179.5
[M+Na-2H]- 208.016216 142.5
[M]+ 187.04100142 138.3
[M]- 187.04209858 138.3
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

No patent data available for this compound.