CID 3000872

42362-28-7

Structural Information

Molecular Formula
C9H9ClN6S
SMILES
C1=C(C(=S)NC(=C1)Cl)NC2=NC(=NC(=C2)N)N
InChI
InChI=1S/C9H9ClN6S/c10-5-2-1-4(8(17)14-5)13-7-3-6(11)15-9(12)16-7/h1-3H,(H,14,17)(H5,11,12,13,15,16)
InChIKey
AGXZTJYNSINJPZ-UHFFFAOYSA-N
Compound name
6-chloro-3-[(2,6-diaminopyrimidin-4-yl)amino]-1H-pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0298 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.03708 155.3
[M+Na]+ 291.01902 166.2
[M-H]- 267.02252 157.0
[M+NH4]+ 286.06362 167.7
[M+K]+ 306.99296 157.5
[M+H-H2O]+ 251.02706 147.8
[M+HCOO]- 313.02800 168.0
[M+CH3COO]- 327.04365 166.0
[M+Na-2H]- 289.00447 158.9
[M]+ 268.02925 153.3
[M]- 268.03035 153.3
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.