CID 2761121

393183-65-8

Structural Information

Molecular Formula
C10H9ClN4S
SMILES
CC1=CC(=NC(=N1)SC2=NN=C(C=C2)Cl)C
InChI
InChI=1S/C10H9ClN4S/c1-6-5-7(2)13-10(12-6)16-9-4-3-8(11)14-15-9/h3-5H,1-2H3
InChIKey
ZSLWAOIOTVDJTQ-UHFFFAOYSA-N
Compound name
2-(6-chloropyridazin-3-yl)sulfanyl-4,6-dimethylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.02365 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.030926 150.6
[M+Na]+ 275.012868 162.9
[M-H]- 251.016374 152.8
[M+NH4]+ 270.057473 164.3
[M+K]+ 290.986808 156.5
[M+H-H2O]+ 235.020910 142.0
[M+HCOO]- 297.021851 161.1
[M+CH3COO]- 311.037501 162.6
[M+Na-2H]- 272.998316 154.8
[M]+ 252.02310142 155.1
[M]- 252.02419858 155.1
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.