CID 3055593

72612-12-5

Structural Information

Molecular Formula

C₁₉H₁₉ClN₂O₂

SMILES

COC1=CC2=C(C=C1)NC=C2CCCNC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H19ClN2O2/c1-24-16-7-8-18-17(11-16)14(12-22-18)5-3-9-21-19(23)13-4-2-6-15(20)10-13/h2,4,6-8,10-12,22H,3,5,9H2,1H3,(H,21,23)

InChIKey

NPFFXIMOWSLTDN-UHFFFAOYSA-N

Compound name

3-chloro-N-[3-(5-methoxy-1H-indol-3-yl)propyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 342.1135 Da
Monoisotopic Mass: 4.2
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]+	343.120776	180.1
[M+Na]+	365.102718	188.9
[M-H]-	341.106224	185.4
[M+NH4]+	360.147323	195.1
[M+K]+	381.076658	181.5
[M+H-H2O]+	325.110760	172.3
[M+HCOO]-	387.111701	198.0
[M+CH3COO]-	401.127351	209.8
[M+Na-2H]-	363.088166	183.1
[M]+	342.11295142	184.8
[M]-	342.11404858	184.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.