CID 58555

101581-88-8

Structural Information

Molecular Formula

C₁₇H₂₁NO

SMILES

COC1=CC=CC=C1CCCNCC2=CC=CC=C2

InChI

InChI=1S/C17H21NO/c1-19-17-12-6-5-10-16(17)11-7-13-18-14-15-8-3-2-4-9-15/h2-6,8-10,12,18H,7,11,13-14H2,1H3

InChIKey

VIDHGGODMWTBLM-UHFFFAOYSA-N

Compound name

N-benzyl-3-(2-methoxyphenyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 255.16231 Da
Monoisotopic Mass: 4.1
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]+	256.16959	160.5
[M+Na]+	278.15153	165.8
[M-H]-	254.15503	166.5
[M+NH4]+	273.19613	176.9
[M+K]+	294.12547	161.6
[M+H-H2O]+	238.15957	152.2
[M+HCOO]-	300.16051	185.1
[M+CH3COO]-	314.17616	199.1
[M+Na-2H]-	276.13698	166.6
[M]+	255.16176	161.6
[M]-	255.16286	161.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.