CID 3063612

2,2-bis((o-methoxy-alpha-methylphenethyl)amino)ethanol hydrochloride

Structural Information

Molecular Formula

C₂₂H₃₂N₂O₃

SMILES

CC(CC1=CC=CC=C1OC)NC(CO)NC(C)CC2=CC=CC=C2OC

InChI

InChI=1S/C22H32N2O3/c1-16(13-18-9-5-7-11-20(18)26-3)23-22(15-25)24-17(2)14-19-10-6-8-12-21(19)27-4/h5-12,16-17,22-25H,13-15H2,1-4H3

InChIKey

JJWHJWAHVVSOQV-UHFFFAOYSA-N

Compound name

2,2-bis[1-(2-methoxyphenyl)propan-2-ylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 372.2413 Da
Monoisotopic Mass: 3.6
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]+	373.248576	194.1
[M+Na]+	395.230518	195.6
[M-H]-	371.234024	198.2
[M+NH4]+	390.275123	204.4
[M+K]+	411.204458	192.6
[M+H-H2O]+	355.238560	184.7
[M+HCOO]-	417.239501	213.8
[M+CH3COO]-	431.255151	224.6
[M+Na-2H]-	393.215966	193.2
[M]+	372.24075142	195.8
[M]-	372.24184858	195.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.