CID 108517

Dtxsid90976265

Structural Information

Molecular Formula

C₂₀H₂₆N₂O

SMILES

CC1C(OCCN1NC(C)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H26N2O/c1-16(15-18-9-5-3-6-10-18)21-22-13-14-23-20(17(22)2)19-11-7-4-8-12-19/h3-12,16-17,20-21H,13-15H2,1-2H3

InChIKey

KBRSLPYGHGQKNS-UHFFFAOYSA-N

Compound name

3-methyl-2-phenyl-N-(1-phenylpropan-2-yl)morpholin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 310.2045 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]+	311.211776	177.4
[M+Na]+	333.193718	180.4
[M-H]-	309.197224	184.9
[M+NH4]+	328.238323	188.3
[M+K]+	349.167658	176.8
[M+H-H2O]+	293.201760	166.9
[M+HCOO]-	355.202701	194.7
[M+CH3COO]-	369.218351	186.5
[M+Na-2H]-	331.179166	180.1
[M]+	310.20395142	173.5
[M]-	310.20504858	173.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe