CID 484142

8-chloro-4-(1h-indol-3-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

Structural Information

Molecular Formula

C₁₉H₁₇ClN₂O

SMILES

C1COC2C1C(NC3=C2C=C(C=C3)Cl)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C19H17ClN2O/c20-11-5-6-17-14(9-11)19-13(7-8-23-19)18(22-17)15-10-21-16-4-2-1-3-12(15)16/h1-6,9-10,13,18-19,21-22H,7-8H2

InChIKey

YAKHACPTOIOVQC-UHFFFAOYSA-N

Compound name

8-chloro-4-(1H-indol-3-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 324.10294 Da
Monoisotopic Mass: 4.0
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]+	325.110216	174.1
[M+Na]+	347.092158	184.1
[M-H]-	323.095664	179.1
[M+NH4]+	342.136763	190.5
[M+K]+	363.066098	176.0
[M+H-H2O]+	307.100200	166.7
[M+HCOO]-	369.101141	183.7
[M+CH3COO]-	383.116791	184.4
[M+Na-2H]-	345.077606	175.8
[M]+	324.10239142	173.3
[M]-	324.10348858	173.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.