CID 57807

Benzofuro(3,2-c)pyridine, 1,2,3,4-tetrahydro-2-(3-(dimethylamino)propyl)-, dihydrochloride

Structural Information

Molecular Formula

C₁₆H₂₂N₂O

SMILES

CN(C)CCCC1CCC2=C(C1)C3=C(O2)C=CN=C3

InChI

InChI=1S/C16H22N2O/c1-18(2)9-3-4-12-5-6-15-13(10-12)14-11-17-8-7-16(14)19-15/h7-8,11-12H,3-6,9-10H2,1-2H3

InChIKey

LVKOJHCXXVTRRX-UHFFFAOYSA-N

Compound name

N,N-dimethyl-3-(6,7,8,9-tetrahydro-[1]benzofuro[3,2-c]pyridin-8-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.17322 Da
Monoisotopic Mass: 3.0
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]+	259.180496	160.7
[M+Na]+	281.162438	167.9
[M-H]-	257.165944	166.3
[M+NH4]+	276.207043	179.4
[M+K]+	297.136378	165.7
[M+H-H2O]+	241.170480	152.9
[M+HCOO]-	303.171421	181.4
[M+CH3COO]-	317.187071	172.9
[M+Na-2H]-	279.147886	166.4
[M]+	258.17267142	163.6
[M]-	258.17376858	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.