CID 374741

Nsc652933

Structural Information

Molecular Formula
C17H12ClN3OS
SMILES
C1CC(=O)N(N=C1C2=CC=C(C=C2)Cl)C3=NSC4=CC=CC=C43
InChI
InChI=1S/C17H12ClN3OS/c18-12-7-5-11(6-8-12)14-9-10-16(22)21(19-14)17-13-3-1-2-4-15(13)23-20-17/h1-8H,9-10H2
InChIKey
DWFPROYEIKXIBY-UHFFFAOYSA-N
Compound name
2-(1,2-benzothiazol-3-yl)-6-(4-chlorophenyl)-4,5-dihydropyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.03897 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.04625 176.3
[M+Na]+ 364.02819 188.6
[M-H]- 340.03169 183.8
[M+NH4]+ 359.07279 190.1
[M+K]+ 380.00213 180.6
[M+H-H2O]+ 324.03623 167.2
[M+HCOO]- 386.03717 187.1
[M+CH3COO]- 400.05282 187.5
[M+Na-2H]- 362.01364 177.8
[M]+ 341.03842 180.2
[M]- 341.03952 180.2
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.