CID 112487

62402-45-3

Structural Information

Molecular Formula

C₁₆H₁₉NO₂

SMILES

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

InChI

InChI=1S/C16H19NO2/c1-18-14-7-3-12(4-8-14)11-16(17)13-5-9-15(19-2)10-6-13/h3-10,16H,11,17H2,1-2H3

InChIKey

HKSKSPMTGBSDOR-UHFFFAOYSA-N

Compound name

1,2-bis(4-methoxyphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9026
Patents: 257.14157 Da
Monoisotopic Mass: 2.7
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]+	258.14885	160.3
[M+Na]+	280.13079	166.7
[M-H]-	256.13429	166.5
[M+NH4]+	275.17539	176.6
[M+K]+	296.10473	163.6
[M+H-H2O]+	240.13883	152.4
[M+HCOO]-	302.13977	183.9
[M+CH3COO]-	316.15542	199.5
[M+Na-2H]-	278.11624	163.9
[M]+	257.14102	161.4
[M]-	257.14212	161.4

Literature stripe

literature stripe

Patent stripe

patents stripe