CID 49624

67227-15-0

Structural Information

Molecular Formula

C₂₃H₂₉NO₂

SMILES

CCC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN3CCOCC3

InChI

InChI=1S/C23H29NO2/c1-3-22(25)23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)19(2)18-24-14-16-26-17-15-24/h4-13,19H,3,14-18H2,1-2H3

InChIKey

JKELWZXAVUOKIQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 351.21982 Da
Monoisotopic Mass: 4.0
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]+	352.227096	187.5
[M+Na]+	374.209038	188.4
[M-H]-	350.212544	194.1
[M+NH4]+	369.253643	196.2
[M+K]+	390.182978	185.3
[M+H-H2O]+	334.217080	177.1
[M+HCOO]-	396.218021	200.5
[M+CH3COO]-	410.233671	213.8
[M+Na-2H]-	372.194486	189.4
[M]+	351.21927142	184.0
[M]-	351.22036858	184.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe