CID 492768

Schembl6640022

Structural Information

Molecular Formula
C10H9ClN4S
SMILES
C1=CC=NC(=C1)CSC2=NC(=CC(=N2)Cl)N
InChI
InChI=1S/C10H9ClN4S/c11-8-5-9(12)15-10(14-8)16-6-7-3-1-2-4-13-7/h1-5H,6H2,(H2,12,14,15)
InChIKey
NFSGGFQVZXEAQJ-UHFFFAOYSA-N
Compound name
6-chloro-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

252.02365 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.03093 150.2
[M+Na]+ 275.01287 160.8
[M-H]- 251.01637 152.9
[M+NH4]+ 270.05747 164.4
[M+K]+ 290.98681 154.0
[M+H-H2O]+ 235.02091 142.1
[M+HCOO]- 297.02185 162.6
[M+CH3COO]- 311.03750 161.9
[M+Na-2H]- 272.99832 155.0
[M]+ 252.02310 152.4
[M]- 252.02420 152.4
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

patents stripe