CID 3067469

81587-38-4

Structural Information

Molecular Formula
C10H8Cl2N4S
SMILES
CC1=NC(=C(C=C1)S)NC2=CC(=NC(=N2)Cl)Cl
InChI
InChI=1S/C10H8Cl2N4S/c1-5-2-3-6(17)9(13-5)15-8-4-7(11)14-10(12)16-8/h2-4,17H,1H3,(H,13,14,15,16)
InChIKey
XSRFCTOUTHFGIL-UHFFFAOYSA-N
Compound name
2-[(2,6-dichloropyrimidin-4-yl)amino]-6-methylpyridine-3-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.98468 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.99196 155.8
[M+Na]+ 308.97390 168.0
[M-H]- 284.97740 158.9
[M+NH4]+ 304.01850 169.8
[M+K]+ 324.94784 160.9
[M+H-H2O]+ 268.98194 148.4
[M+HCOO]- 330.98288 163.5
[M+CH3COO]- 344.99853 167.5
[M+Na-2H]- 306.95935 159.2
[M]+ 285.98413 160.6
[M]- 285.98523 160.6
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.