CID 3086859

3(2h)-pyridazinone, 4,5-dihydro-2-(6-chloro-2-benzothiazolyl)-6-phenyl-

Structural Information

Molecular Formula
C17H12ClN3OS
SMILES
C1CC(=O)N(N=C1C2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)Cl
InChI
InChI=1S/C17H12ClN3OS/c18-12-6-7-14-15(10-12)23-17(19-14)21-16(22)9-8-13(20-21)11-4-2-1-3-5-11/h1-7,10H,8-9H2
InChIKey
MJJTXSXXJYHLAM-UHFFFAOYSA-N
Compound name
2-(6-chloro-1,3-benzothiazol-2-yl)-6-phenyl-4,5-dihydropyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.03897 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.04625 175.0
[M+Na]+ 364.02819 193.2
[M+NH4]+ 359.07279 184.6
[M+K]+ 380.00213 183.2
[M-H]- 340.03169 181.2
[M+Na-2H]- 362.01364 185.1
[M]+ 341.03842 180.4
[M]- 341.03952 180.4
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.