CID 41274

Benzofuro(3,2-c)pyridine, 1,2,3,4-tetrahydro-2-(3-(diethylamino)propionyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₈H₂₄N₂O₂

SMILES

CCN(CC)CCC(=O)C1CCC2=C(C1)C3=C(O2)C=CN=C3

InChI

InChI=1S/C18H24N2O2/c1-3-20(4-2)10-8-16(21)13-5-6-17-14(11-13)15-12-19-9-7-18(15)22-17/h7,9,12-13H,3-6,8,10-11H2,1-2H3

InChIKey

VDTRQBSSKXJXFX-UHFFFAOYSA-N

Compound name

3-(diethylamino)-1-(6,7,8,9-tetrahydro-[1]benzofuro[3,2-c]pyridin-8-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 300.18378 Da
Monoisotopic Mass: 2.3
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]+	301.191056	172.7
[M+Na]+	323.172998	178.8
[M-H]-	299.176504	178.0
[M+NH4]+	318.217603	189.3
[M+K]+	339.146938	176.6
[M+H-H2O]+	283.181040	164.6
[M+HCOO]-	345.181981	192.0
[M+CH3COO]-	359.197631	211.1
[M+Na-2H]-	321.158446	176.2
[M]+	300.18323142	176.4
[M]-	300.18432858	176.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.