CID 70496

4-pyrimidinamine, 6-chloro-2-(methylthio)-

Structural Information

Molecular Formula
C5H6ClN3S
SMILES
CSC1=NC(=CC(=N1)Cl)N
InChI
InChI=1S/C5H6ClN3S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3,(H2,7,8,9)
InChIKey
ISUXMAHVLFRZQU-UHFFFAOYSA-N
Compound name
6-chloro-2-methylsulfanylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

563
Patents

174.9971 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.00438 130.1
[M+Na]+ 197.98632 141.1
[M-H]- 173.98982 131.4
[M+NH4]+ 193.03092 149.1
[M+K]+ 213.96026 136.6
[M+H-H2O]+ 157.99436 124.4
[M+HCOO]- 219.99530 143.7
[M+CH3COO]- 234.01095 178.7
[M+Na-2H]- 195.97177 134.3
[M]+ 174.99655 132.3
[M]- 174.99765 132.3
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

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