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 155.9
[M+Na]+ 328.91927 167.8
[M-H]- 304.92277 156.5
[M+NH4]+ 323.96387 168.3
[M+K]+ 344.89321 159.3
[M+H-H2O]+ 288.92731 149.6
[M+HCOO]- 350.92825 157.2
[M+CH3COO]- 364.94390 166.1
[M+Na-2H]- 326.90472 158.3
[M]+ 305.92950 157.7
[M]- 305.93060 157.7
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

No patent data available for this compound.