CID 3086858

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

Structural Information

Molecular Formula
C18H14ClN3O2S
SMILES
COC1=CC2=C(C=C1)N=C(S2)N3C(=O)CCC(=N3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H14ClN3O2S/c1-24-13-6-7-15-16(10-13)25-18(20-15)22-17(23)9-8-14(21-22)11-2-4-12(19)5-3-11/h2-7,10H,8-9H2,1H3
InChIKey
ALINQRYTDFFUAE-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)-2-(6-methoxy-1,3-benzothiazol-2-yl)-4,5-dihydropyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.04953 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.05681 183.4
[M+Na]+ 394.03875 201.2
[M+NH4]+ 389.08335 192.1
[M+K]+ 410.01269 191.6
[M-H]- 370.04225 189.1
[M+Na-2H]- 392.02420 192.5
[M]+ 371.04898 188.5
[M]- 371.05008 188.5
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.