CID 202818

13371-64-7

Structural Information

Molecular Formula

C₁₇H₂₁NO

SMILES

CC(CC1=CC=CC=C1)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C17H21NO/c1-14(12-15-6-4-3-5-7-15)18-13-16-8-10-17(19-2)11-9-16/h3-11,14,18H,12-13H2,1-2H3

InChIKey

JIPPEDXMQNTPMJ-UHFFFAOYSA-N

Compound name

N-[(4-methoxyphenyl)methyl]-1-phenylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 255.16231 Da
Monoisotopic Mass: 3.7
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	161.1
[M+Na]+	278.15153	166.2
[M-H]-	254.15503	167.2
[M+NH4]+	273.19613	177.5
[M+K]+	294.12547	162.5
[M+H-H2O]+	238.15957	153.0
[M+HCOO]-	300.16051	184.7
[M+CH3COO]-	314.17616	199.9
[M+Na-2H]-	276.13698	166.0
[M]+	255.16176	161.7
[M]-	255.16286	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe