CID 50177

F 1640

Structural Information

Molecular Formula

C₁₆H₁₉NO₂

SMILES

COC1=CC=CC(=C1O)CNCCC2=CC=CC=C2

InChI

InChI=1S/C16H19NO2/c1-19-15-9-5-8-14(16(15)18)12-17-11-10-13-6-3-2-4-7-13/h2-9,17-18H,10-12H2,1H3

InChIKey

PVFQVUDQHCXCBD-UHFFFAOYSA-N

Compound name

2-methoxy-6-[(2-phenylethylamino)methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 257.14157 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]+	258.14885	159.3
[M+Na]+	280.13079	165.5
[M-H]-	256.13429	164.5
[M+NH4]+	275.17539	175.2
[M+K]+	296.10473	161.3
[M+H-H2O]+	240.13883	151.5
[M+HCOO]-	302.13977	183.0
[M+CH3COO]-	316.15542	196.7
[M+Na-2H]-	278.11624	164.8
[M]+	257.14102	160.1
[M]-	257.14212	160.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe