CID 13651885

93094-52-1

Structural Information

Molecular Formula

C₁₇H₂₁NO₂

SMILES

COC1=C(C=C(C=C1)CC(CC2=CC=CC=C2)N)OC

InChI

InChI=1S/C17H21NO2/c1-19-16-9-8-14(12-17(16)20-2)11-15(18)10-13-6-4-3-5-7-13/h3-9,12,15H,10-11,18H2,1-2H3

InChIKey

SWZAGONAANKISE-UHFFFAOYSA-N

Compound name

1-(3,4-dimethoxyphenyl)-3-phenylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 271.15723 Da
Monoisotopic Mass: 2.8
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]+	272.164506	165.0
[M+Na]+	294.146448	170.9
[M-H]-	270.149954	171.0
[M+NH4]+	289.191053	180.7
[M+K]+	310.120388	167.5
[M+H-H2O]+	254.154490	156.8
[M+HCOO]-	316.155431	188.2
[M+CH3COO]-	330.171081	202.5
[M+Na-2H]-	292.131896	168.0
[M]+	271.15668142	166.4
[M]-	271.15777858	166.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe