CID 135408766

1074-41-5

Structural Information

Molecular Formula
C5H7N3OS
SMILES
CSC1=NC(=CC(=O)N1)N
InChI
InChI=1S/C5H7N3OS/c1-10-5-7-3(6)2-4(9)8-5/h2H,1H3,(H3,6,7,8,9)
InChIKey
PXYQQKWEFDEUIX-UHFFFAOYSA-N
Compound name
4-amino-2-methylsulfanyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

92
Patents

157.03099 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.03827 129.3
[M+Na]+ 180.02021 141.1
[M+NH4]+ 175.06481 136.9
[M+K]+ 195.99415 134.2
[M-H]- 156.02371 130.2
[M+Na-2H]- 178.00566 134.7
[M]+ 157.03044 131.5
[M]- 157.03154 131.5
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