CID 374742

Nsc652934

Structural Information

Molecular Formula
C18H15N3O2S
SMILES
COC1=CC=C(C=C1)C2=NN(C(=O)CC2)C3=NSC4=CC=CC=C43
InChI
InChI=1S/C18H15N3O2S/c1-23-13-8-6-12(7-9-13)15-10-11-17(22)21(19-15)18-14-4-2-3-5-16(14)24-20-18/h2-9H,10-11H2,1H3
InChIKey
UBLFVASNCCFPTJ-UHFFFAOYSA-N
Compound name
2-(1,2-benzothiazol-3-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 177.4
[M+Na]+ 360.07772 188.4
[M-H]- 336.08122 185.1
[M+NH4]+ 355.12232 190.4
[M+K]+ 376.05166 181.9
[M+H-H2O]+ 320.08576 167.9
[M+HCOO]- 382.08670 192.8
[M+CH3COO]- 396.10235 188.5
[M+Na-2H]- 358.06317 179.2
[M]+ 337.08795 181.0
[M]- 337.08905 181.0
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.