CID 259225

2-(methylthio)pyrimidin-4-amine

Structural Information

Molecular Formula
C5H7N3S
SMILES
CSC1=NC=CC(=N1)N
InChI
InChI=1S/C5H7N3S/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3,(H2,6,7,8)
InChIKey
HGGXLEAHOVIYKT-UHFFFAOYSA-N
Compound name
2-methylsulfanylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

180
Patents

141.03607 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04335 125.4
[M+Na]+ 164.02529 137.9
[M+NH4]+ 159.06989 134.2
[M+K]+ 179.99923 130.0
[M-H]- 140.02879 127.5
[M+Na-2H]- 162.01074 132.3
[M]+ 141.03552 128.1
[M]- 141.03662 128.1
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