CID 44682

3-hexanol, 4,4-diphenyl-6-morpholino-, hydrochloride

Structural Information

Molecular Formula

C₂₂H₂₉NO₂

SMILES

CCC(C(CCN1CCOCC1)(C2=CC=CC=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C22H29NO2/c1-2-21(24)22(19-9-5-3-6-10-19,20-11-7-4-8-12-20)13-14-23-15-17-25-18-16-23/h3-12,21,24H,2,13-18H2,1H3

InChIKey

DAMOVGWHZOHSMS-UHFFFAOYSA-N

Compound name

6-morpholin-4-yl-4,4-diphenylhexan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 339.21982 Da
Monoisotopic Mass: 3.9
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]+	340.227096	184.3
[M+Na]+	362.209038	185.2
[M-H]-	338.212544	189.7
[M+NH4]+	357.253643	193.0
[M+K]+	378.182978	181.5
[M+H-H2O]+	322.217080	174.2
[M+HCOO]-	384.218021	197.0
[M+CH3COO]-	398.233671	208.3
[M+Na-2H]-	360.194486	187.5
[M]+	339.21927142	180.0
[M]-	339.22036858	180.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.