CID 114388

1-phthalanpropylamine, n-methyl-1-phenyl-, hydrochloride

Structural Information

Molecular Formula

C₁₈H₂₁NO

SMILES

CNCCCC1(C2=CC=CC=C2CO1)C3=CC=CC=C3

InChI

InChI=1S/C18H21NO/c1-19-13-7-12-18(16-9-3-2-4-10-16)17-11-6-5-8-15(17)14-20-18/h2-6,8-11,19H,7,12-14H2,1H3

InChIKey

IODDIRNVZLCLED-UHFFFAOYSA-N

Compound name

N-methyl-3-(1-phenyl-3H-2-benzofuran-1-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 267.16232 Da
Monoisotopic Mass: 2.9
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]+	268.169596	163.0
[M+Na]+	290.151538	169.5
[M-H]-	266.155044	170.8
[M+NH4]+	285.196143	182.4
[M+K]+	306.125478	165.8
[M+H-H2O]+	250.159580	155.6
[M+HCOO]-	312.160521	185.6
[M+CH3COO]-	326.176171	175.1
[M+Na-2H]-	288.136986	169.7
[M]+	267.16177142	163.6
[M]-	267.16286858	163.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.