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 182.4
[M+Na]+ 374.09338 193.8
[M-H]- 350.09688 190.3
[M+NH4]+ 369.13798 195.1
[M+K]+ 390.06732 187.1
[M+H-H2O]+ 334.10142 172.9
[M+HCOO]- 396.10236 197.4
[M+CH3COO]- 410.11801 193.4
[M+Na-2H]- 372.07883 183.0
[M]+ 351.10361 186.7
[M]- 351.10471 186.7
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.