CID 162798

56431-20-0

Structural Information

Molecular Formula

C₂₁H₂₉NO₂

SMILES

CCC(C1=CC=CC=C1)(C2=CC=C(C=C2)OCCN(CC)CC)O

InChI

InChI=1S/C21H29NO2/c1-4-21(23,18-10-8-7-9-11-18)19-12-14-20(15-13-19)24-17-16-22(5-2)6-3/h7-15,23H,4-6,16-17H2,1-3H3

InChIKey

STSAFCZWSFWXJC-UHFFFAOYSA-N

Compound name

1-[4-[2-(diethylamino)ethoxy]phenyl]-1-phenylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 327.21982 Da
Monoisotopic Mass: 4.2
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]+	328.227096	182.7
[M+Na]+	350.209038	186.2
[M-H]-	326.212544	188.3
[M+NH4]+	345.253643	196.1
[M+K]+	366.182978	182.8
[M+H-H2O]+	310.217080	174.0
[M+HCOO]-	372.218021	203.5
[M+CH3COO]-	386.233671	214.3
[M+Na-2H]-	348.194486	186.1
[M]+	327.21927142	185.6
[M]-	327.22036858	185.6

Literature stripe

literature stripe

Patent stripe

patents stripe