CID 3086919

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

Structural Information

Molecular Formula
C18H15N3OS
SMILES
CC1=CC2=C(C=C1)N=C(S2)N3C(=O)CCC(=N3)C4=CC=CC=C4
InChI
InChI=1S/C18H15N3OS/c1-12-7-8-15-16(11-12)23-18(19-15)21-17(22)10-9-14(20-21)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3
InChIKey
NXKDOUJREVFILE-UHFFFAOYSA-N
Compound name
2-(6-methyl-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

321.0936 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.10088 172.8
[M+Na]+ 344.08282 189.9
[M+NH4]+ 339.12742 181.9
[M+K]+ 360.05676 180.6
[M-H]- 320.08632 178.9
[M+Na-2H]- 342.06827 182.6
[M]+ 321.09305 177.6
[M]- 321.09415 177.6
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.