CID 492733

6-chloro-2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyrimidin-4-amine

Structural Information

Molecular Formula
C12H9Cl2N5S
SMILES
C1=CC2=NC(=CN2C=C1Cl)CSC3=NC(=CC(=N3)Cl)N
InChI
InChI=1S/C12H9Cl2N5S/c13-7-1-2-11-16-8(5-19(11)4-7)6-20-12-17-9(14)3-10(15)18-12/h1-5H,6H2,(H2,15,17,18)
InChIKey
PVSSQTFXHMVOBA-UHFFFAOYSA-N
Compound name
6-chloro-2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

324.99557 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.00285 166.7
[M+Na]+ 347.98479 180.7
[M-H]- 323.98829 169.4
[M+NH4]+ 343.02939 180.5
[M+K]+ 363.95873 172.6
[M+H-H2O]+ 307.99283 158.7
[M+HCOO]- 369.99377 174.0
[M+CH3COO]- 384.00942 178.0
[M+Na-2H]- 345.97024 169.3
[M]+ 324.99502 173.0
[M]- 324.99612 173.0
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