CID 71424713

919797-17-4

Structural Information

Molecular Formula

C₁₇H₂₁NO₃

SMILES

COC1=CC(=C(C=C1)OC)CCNCC2=CC=CC=C2O

InChI

InChI=1S/C17H21NO3/c1-20-15-7-8-17(21-2)13(11-15)9-10-18-12-14-5-3-4-6-16(14)19/h3-8,11,18-19H,9-10,12H2,1-2H3

InChIKey

GWSDQXKNRDQTTQ-UHFFFAOYSA-N

Compound name

2-[[2-(2,5-dimethoxyphenyl)ethylamino]methyl]phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 20
Patents: 287.15213 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]+	288.159406	167.0
[M+Na]+	310.141348	173.6
[M-H]-	286.144854	172.4
[M+NH4]+	305.185953	181.9
[M+K]+	326.115288	169.9
[M+H-H2O]+	270.149390	158.9
[M+HCOO]-	332.150331	190.5
[M+CH3COO]-	346.165981	203.1
[M+Na-2H]-	308.126796	171.3
[M]+	287.15158142	170.0
[M]-	287.15267858	170.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe