CID 492713

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

Structural Information

Molecular Formula
C10H8Cl2N4S
SMILES
C1=CC(=NC(=C1)Cl)CSC2=NC(=CC(=N2)Cl)N
InChI
InChI=1S/C10H8Cl2N4S/c11-7-3-1-2-6(14-7)5-17-10-15-8(12)4-9(13)16-10/h1-4H,5H2,(H2,13,15,16)
InChIKey
HHNPTSXCIIPXSB-UHFFFAOYSA-N
Compound name
6-chloro-2-[(6-chloropyridin-2-yl)methylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

285.98468 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.99196 155.3
[M+Na]+ 308.97390 166.6
[M-H]- 284.97740 157.5
[M+NH4]+ 304.01850 168.7
[M+K]+ 324.94784 159.2
[M+H-H2O]+ 268.98194 147.8
[M+HCOO]- 330.98288 162.4
[M+CH3COO]- 344.99853 166.4
[M+Na-2H]- 306.95935 158.5
[M]+ 285.98413 158.7
[M]- 285.98523 158.7
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