CID 135934367

6-(aminomethyl)-2-(methylsulfanyl)-1,4-dihydropyrimidin-4-one hydrochloride

Structural Information

Molecular Formula
C6H9N3OS
SMILES
CSC1=NC(=CC(=O)N1)CN
InChI
InChI=1S/C6H9N3OS/c1-11-6-8-4(3-7)2-5(10)9-6/h2H,3,7H2,1H3,(H,8,9,10)
InChIKey
BJVVQDSUVDFVHA-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.04663 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.053906 132.7
[M+Na]+ 194.035848 142.5
[M-H]- 170.039354 132.6
[M+NH4]+ 189.080453 150.2
[M+K]+ 210.009788 138.2
[M+H-H2O]+ 154.043890 126.1
[M+HCOO]- 216.044831 149.5
[M+CH3COO]- 230.060481 176.6
[M+Na-2H]- 192.021296 136.4
[M]+ 171.04608142 132.4
[M]- 171.04717858 132.4
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.