CID 492724

6-chloro-2-[(4-methoxy-2-pyridyl)methylsulfanyl]pyrimidin-4-amine

Structural Information

Molecular Formula
C11H11ClN4OS
SMILES
COC1=CC(=NC=C1)CSC2=NC(=CC(=N2)Cl)N
InChI
InChI=1S/C11H11ClN4OS/c1-17-8-2-3-14-7(4-8)6-18-11-15-9(12)5-10(13)16-11/h2-5H,6H2,1H3,(H2,13,15,16)
InChIKey
YJXGISZJNJLMCY-UHFFFAOYSA-N
Compound name
6-chloro-2-[(4-methoxypyridin-2-yl)methylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

282.0342 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.04148 158.2
[M+Na]+ 305.02342 169.0
[M-H]- 281.02692 161.2
[M+NH4]+ 300.06802 171.4
[M+K]+ 320.99736 162.6
[M+H-H2O]+ 265.03146 149.9
[M+HCOO]- 327.03240 170.5
[M+CH3COO]- 341.04805 169.7
[M+Na-2H]- 303.00887 161.8
[M]+ 282.03365 162.6
[M]- 282.03475 162.6
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