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 182.7
[M+Na]+ 397.98922 201.6
[M+NH4]+ 393.03382 192.2
[M+K]+ 413.96316 190.9
[M-H]- 373.99272 188.7
[M+Na-2H]- 395.97467 192.2
[M]+ 374.99945 188.4
[M]- 375.00055 188.4
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.