CID 57587959

5-methanesulfonylpyrimidin-2-amine

Structural Information

Molecular Formula
C5H7N3O2S
SMILES
CS(=O)(=O)C1=CN=C(N=C1)N
InChI
InChI=1S/C5H7N3O2S/c1-11(9,10)4-2-7-5(6)8-3-4/h2-3H,1H3,(H2,6,7,8)
InChIKey
JKEMPSKPFAUAQW-UHFFFAOYSA-N
Compound name
5-methylsulfonylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

173.0259 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.03318 132.5
[M+Na]+ 196.01512 142.8
[M-H]- 172.01862 134.0
[M+NH4]+ 191.05972 150.3
[M+K]+ 211.98906 139.9
[M+H-H2O]+ 156.02316 126.1
[M+HCOO]- 218.02410 150.1
[M+CH3COO]- 232.03975 176.5
[M+Na-2H]- 194.00057 138.6
[M]+ 173.02535 133.5
[M]- 173.02645 133.5
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

patents stripe