CID 633099

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

Structural Information

Molecular Formula
C17H11Cl2N3OS
SMILES
C1CC(=O)N(N=C1C2=CC=C(C=C2)Cl)C3=NC4=C(S3)C=C(C=C4)Cl
InChI
InChI=1S/C17H11Cl2N3OS/c18-11-3-1-10(2-4-11)13-7-8-16(23)22(21-13)17-20-14-6-5-12(19)9-15(14)24-17/h1-6,9H,7-8H2
InChIKey
WYQBIPKHJRHWIK-UHFFFAOYSA-N
Compound name
2-(6-chloro-1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)-4,5-dihydropyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.0 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.00728 182.4
[M+Na]+ 397.98922 195.4
[M-H]- 373.99272 189.4
[M+NH4]+ 393.03382 195.5
[M+K]+ 413.96316 187.0
[M+H-H2O]+ 357.99726 173.6
[M+HCOO]- 419.99820 187.9
[M+CH3COO]- 434.01385 193.0
[M+Na-2H]- 395.97467 182.4
[M]+ 374.99945 187.8
[M]- 375.00055 187.8
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.