CID 114421

1-phthalanpropylamine, n,n-dimethyl-1-phenyl-, hydrochloride

Structural Information

Molecular Formula

C₁₉H₂₃NO

SMILES

CN(C)CCCC1(C2=CC=CC=C2CO1)C3=CC=CC=C3

InChI

InChI=1S/C19H23NO/c1-20(2)14-8-13-19(17-10-4-3-5-11-17)18-12-7-6-9-16(18)15-21-19/h3-7,9-12H,8,13-15H2,1-2H3

InChIKey

RNMJRHMRVJNPGK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 65
Patents: 281.17798 Da
Monoisotopic Mass: 3.4
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]+	282.185256	168.6
[M+Na]+	304.167198	174.7
[M-H]-	280.170704	177.6
[M+NH4]+	299.211803	188.0
[M+K]+	320.141138	172.1
[M+H-H2O]+	264.175240	160.8
[M+HCOO]-	326.176181	191.3
[M+CH3COO]-	340.191831	180.7
[M+Na-2H]-	302.152646	173.8
[M]+	281.17743142	170.6
[M]-	281.17852858	170.6

Literature stripe

literature stripe

Patent stripe

patents stripe