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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	372.056806	184.1
[M+Na]+	394.038748	196.4
[M-H]-	370.042254	191.9
[M+NH4]+	389.083353	196.9
[M+K]+	410.012688	189.0
[M+H-H2O]+	354.046790	175.0
[M+HCOO]-	416.047731	194.8
[M+CH3COO]-	430.063381	195.1
[M+Na-2H]-	392.024196	184.7
[M]+	371.04898142	190.2
[M]-	371.05007858	190.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.