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]+ 253.03093 150.6
[M+Na]+ 275.01287 162.9
[M-H]- 251.01637 152.8
[M+NH4]+ 270.05747 164.3
[M+K]+ 290.98681 156.5
[M+H-H2O]+ 235.02091 142.0
[M+HCOO]- 297.02185 161.1
[M+CH3COO]- 311.03750 162.6
[M+Na-2H]- 272.99832 154.8
[M]+ 252.02310 155.1
[M]- 252.02420 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.