CID 3067472

Brn 5575516

Structural Information

Molecular Formula
C9H5Cl3N4S
SMILES
C1=C(C(=S)NC(=C1)Cl)NC2=CC(=NC(=N2)Cl)Cl
InChI
InChI=1S/C9H5Cl3N4S/c10-5-2-1-4(8(17)14-5)13-7-3-6(11)15-9(12)16-7/h1-3H,(H,14,17)(H,13,15,16)
InChIKey
HIOXGUOYQJTQHS-UHFFFAOYSA-N
Compound name
6-chloro-3-[(2,6-dichloropyrimidin-4-yl)amino]-1H-pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.93005 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.93733 164.6
[M+Na]+ 328.91927 181.1
[M+NH4]+ 323.96387 172.6
[M+K]+ 344.89321 170.3
[M-H]- 304.92277 167.5
[M+Na-2H]- 326.90472 172.4
[M]+ 305.92950 169.1
[M]- 305.93060 169.1
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.