CID 114876

67383-44-2

Structural Information

Molecular Formula

C₁₉H₂₅NO

SMILES

CCCN(CCC1=CC=CC=C1)CCC2=CC(=CC=C2)O

InChI

InChI=1S/C19H25NO/c1-2-13-20(14-11-17-7-4-3-5-8-17)15-12-18-9-6-10-19(21)16-18/h3-10,16,21H,2,11-15H2,1H3

InChIKey

QUZUPTMNMJTYGL-UHFFFAOYSA-N

Compound name

3-[2-[2-phenylethyl(propyl)amino]ethyl]phenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 69
References: 3
Patents: 283.1936 Da
Monoisotopic Mass: 4.7
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]+	284.200876	170.3
[M+Na]+	306.182818	174.5
[M-H]-	282.186324	176.0
[M+NH4]+	301.227423	185.5
[M+K]+	322.156758	170.3
[M+H-H2O]+	266.190860	161.7
[M+HCOO]-	328.191801	193.2
[M+CH3COO]-	342.207451	205.9
[M+Na-2H]-	304.168266	174.1
[M]+	283.19305142	171.6
[M]-	283.19414858	171.6

Literature stripe

literature stripe

Patent stripe

patents stripe