CID 3086920

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

Structural Information

Molecular Formula
C19H17N3O2S
SMILES
CC1=CC2=C(C=C1)N=C(S2)N3C(=O)CCC(=N3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C19H17N3O2S/c1-12-3-8-16-17(11-12)25-19(20-16)22-18(23)10-9-15(21-22)13-4-6-14(24-2)7-5-13/h3-8,11H,9-10H2,1-2H3
InChIKey
JYAKGBRABAQYRT-UHFFFAOYSA-N
Compound name
6-(4-methoxyphenyl)-2-(6-methyl-1,3-benzothiazol-2-yl)-4,5-dihydropyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.10416 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.11144 181.3
[M+Na]+ 374.09338 198.1
[M+NH4]+ 369.13798 189.7
[M+K]+ 390.06732 189.3
[M-H]- 350.09688 187.0
[M+Na-2H]- 372.07883 190.2
[M]+ 351.10361 186.0
[M]- 351.10471 186.0
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.