CID 3067473

Brn 5587784

Structural Information

Molecular Formula
C10H8Cl2N4OS
SMILES
COC1=CC=C(C(=S)N1)NC2=CC(=NC(=N2)Cl)Cl
InChI
InChI=1S/C10H8Cl2N4OS/c1-17-8-3-2-5(9(18)16-8)13-7-4-6(11)14-10(12)15-7/h2-4H,1H3,(H,16,18)(H,13,14,15)
InChIKey
XSLPSQWNYDKHFS-UHFFFAOYSA-N
Compound name
3-[(2,6-dichloropyrimidin-4-yl)amino]-6-methoxy-1H-pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.97958 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.98686 158.4
[M+Na]+ 324.96880 170.2
[M-H]- 300.97230 160.2
[M+NH4]+ 320.01340 170.9
[M+K]+ 340.94274 162.2
[M+H-H2O]+ 284.97684 151.4
[M+HCOO]- 346.97778 165.0
[M+CH3COO]- 360.99343 169.2
[M+Na-2H]- 322.95425 161.5
[M]+ 301.97903 162.0
[M]- 301.98013 162.0
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.