CID 630753

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

Structural Information

Molecular Formula
C18H15N3O2S
SMILES
COC1=CC=C(C=C1)C2=NN(C(=O)CC2)C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C18H15N3O2S/c1-23-13-8-6-12(7-9-13)14-10-11-17(22)21(20-14)18-19-15-4-2-3-5-16(15)24-18/h2-9H,10-11H2,1H3
InChIKey
WCSLHRDGVCYTKM-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-yl)-6-(4-methoxyphenyl)-4,5-dihydropyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.0885 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.09578 176.2
[M+Na]+ 360.07772 192.9
[M+NH4]+ 355.12232 184.7
[M+K]+ 376.05166 184.1
[M-H]- 336.08122 181.9
[M+Na-2H]- 358.06317 185.6
[M]+ 337.08795 180.8
[M]- 337.08905 180.8
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.