CID 44686

4,4-diphenyl-6-morpholino-3-hexanone

Structural Information

Molecular Formula

C₂₂H₂₇NO₂

SMILES

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

InChI

InChI=1S/C22H27NO2/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/h3-12H,2,13-18H2,1H3

InChIKey

SXKOCXTXIUNMEN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 337.2042 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]+	338.21148	183.5
[M+Na]+	360.19342	185.1
[M-H]-	336.19692	190.2
[M+NH4]+	355.23802	192.8
[M+K]+	376.16736	181.7
[M+H-H2O]+	320.20146	173.1
[M+HCOO]-	382.20240	197.8
[M+CH3COO]-	396.21805	210.0
[M+Na-2H]-	358.17887	187.0
[M]+	337.20365	180.3
[M]-	337.20475	180.3

Literature stripe

literature stripe

Patent stripe

patents stripe