CID 738564

14429-02-8

Structural Information

Molecular Formula

C₁₅H₁₇NO

SMILES

COC1=CC=C(C=C1)CNCC2=CC=CC=C2

InChI

InChI=1S/C15H17NO/c1-17-15-9-7-14(8-10-15)12-16-11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3

InChIKey

WZUBICZIDUTTNJ-UHFFFAOYSA-N

Compound name

N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 101
Patents: 227.13101 Da
Monoisotopic Mass: 2.6
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]+	228.13829	151.3
[M+Na]+	250.12023	157.5
[M-H]-	226.12373	157.7
[M+NH4]+	245.16483	168.9
[M+K]+	266.09417	153.8
[M+H-H2O]+	210.12827	143.5
[M+HCOO]-	272.12921	176.6
[M+CH3COO]-	286.14486	193.1
[M+Na-2H]-	248.10568	158.5
[M]+	227.13046	151.8
[M]-	227.13156	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe