CID 492726

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

Structural Information

Molecular Formula
C11H10Cl2N4S
SMILES
CC1=CC(=NC(=C1)Cl)CSC2=NC(=CC(=N2)Cl)N
InChI
InChI=1S/C11H10Cl2N4S/c1-6-2-7(15-8(12)3-6)5-18-11-16-9(13)4-10(14)17-11/h2-4H,5H2,1H3,(H2,14,16,17)
InChIKey
QWOBTOMGJGXUQC-UHFFFAOYSA-N
Compound name
6-chloro-2-[(6-chloro-4-methylpyridin-2-yl)methylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

300.00034 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.00762 160.3
[M+Na]+ 322.98956 172.1
[M-H]- 298.99306 162.8
[M+NH4]+ 318.03416 173.5
[M+K]+ 338.96350 164.4
[M+H-H2O]+ 282.99760 152.8
[M+HCOO]- 344.99854 167.1
[M+CH3COO]- 359.01419 171.3
[M+Na-2H]- 320.97501 162.3
[M]+ 299.99979 164.5
[M]- 300.00089 164.5
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.