CID 3034607

Brn 5579402

Structural Information

Molecular Formula
C10H10ClN5S2
SMILES
CSC1=NC(=CC(=N1)NC2=CC=C(NC2=S)Cl)N
InChI
InChI=1S/C10H10ClN5S2/c1-18-10-15-7(12)4-8(16-10)13-5-2-3-6(11)14-9(5)17/h2-4H,1H3,(H,14,17)(H3,12,13,15,16)
InChIKey
QRNTWUQUUWBBIM-UHFFFAOYSA-N
Compound name
3-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]-6-chloro-1H-pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.00662 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.01390 157.8
[M+Na]+ 321.99584 169.0
[M-H]- 297.99934 159.5
[M+NH4]+ 317.04044 169.8
[M+K]+ 337.96978 159.0
[M+H-H2O]+ 282.00388 151.1
[M+HCOO]- 344.00482 164.3
[M+CH3COO]- 358.02047 168.0
[M+Na-2H]- 319.98129 159.6
[M]+ 299.00607 158.3
[M]- 299.00717 158.3
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.