CID 3086921

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

Structural Information

Molecular Formula
C18H14ClN3OS
SMILES
CC1=CC2=C(C=C1)N=C(S2)N3C(=O)CCC(=N3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H14ClN3OS/c1-11-2-7-15-16(10-11)24-18(20-15)22-17(23)9-8-14(21-22)12-3-5-13(19)6-4-12/h2-7,10H,8-9H2,1H3
InChIKey
CWQALLDGILFORX-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)-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

355.0546 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.06188 181.3
[M+Na]+ 378.04382 193.9
[M-H]- 354.04732 189.0
[M+NH4]+ 373.08842 194.8
[M+K]+ 394.01776 185.7
[M+H-H2O]+ 338.05186 172.3
[M+HCOO]- 400.05280 191.7
[M+CH3COO]- 414.06845 192.4
[M+Na-2H]- 376.02927 181.6
[M]+ 355.05405 186.0
[M]- 355.05515 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.