CID 470476

6-chloro-2-(cyclohexylmethylsulfanyl)pyrimidin-4-amine

Structural Information

Molecular Formula
C11H16ClN3S
SMILES
C1CCC(CC1)CSC2=NC(=CC(=N2)Cl)N
InChI
InChI=1S/C11H16ClN3S/c12-9-6-10(13)15-11(14-9)16-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H2,13,14,15)
InChIKey
MWHMDFSYEJPUGV-UHFFFAOYSA-N
Compound name
6-chloro-2-(cyclohexylmethylsulfanyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.07535 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08263 154.8
[M+Na]+ 280.06457 161.7
[M-H]- 256.06807 157.6
[M+NH4]+ 275.10917 169.9
[M+K]+ 296.03851 155.8
[M+H-H2O]+ 240.07261 147.2
[M+HCOO]- 302.07355 163.9
[M+CH3COO]- 316.08920 165.1
[M+Na-2H]- 278.05002 156.1
[M]+ 257.07480 152.8
[M]- 257.07590 152.8
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

No patent data available for this compound.