CID 492714

4-amino-6-chloro-2-[2-(6-methyl)-5-pyridylmethylthio]-pyrimidine

Structural Information

Molecular Formula
C11H11ClN4S
SMILES
CC1=NC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N
InChI
InChI=1S/C11H11ClN4S/c1-7-3-2-4-8(14-7)6-17-11-15-9(12)5-10(13)16-11/h2-5H,6H2,1H3,(H2,13,15,16)
InChIKey
VZBNCFWKZSGABH-UHFFFAOYSA-N
Compound name
6-chloro-2-[(6-methylpyridin-2-yl)methylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

266.0393 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.04658 155.3
[M+Na]+ 289.02852 166.3
[M-H]- 265.03202 158.2
[M+NH4]+ 284.07312 169.2
[M+K]+ 305.00246 159.3
[M+H-H2O]+ 249.03656 147.2
[M+HCOO]- 311.03750 167.3
[M+CH3COO]- 325.05315 166.9
[M+Na-2H]- 287.01397 158.7
[M]+ 266.03875 158.2
[M]- 266.03985 158.2
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

No patent data available for this compound.