CID 102640

1506-00-9

Structural Information

Molecular Formula

C₂₁H₂₈N₂O₂

SMILES

CC(C)C(CCN1CCOCC1)(C2=CC=CC3=CC=CC=C32)C(=O)N

InChI

InChI=1S/C21H28N2O2/c1-16(2)21(20(22)24,10-11-23-12-14-25-15-13-23)19-9-5-7-17-6-3-4-8-18(17)19/h3-9,16H,10-15H2,1-2H3,(H2,22,24)

InChIKey

BULQNWJGGGMADX-UHFFFAOYSA-N

Compound name

3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 340.2151 Da
Monoisotopic Mass: 3.2
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]+	341.222376	184.5
[M+Na]+	363.204318	186.4
[M-H]-	339.207824	188.9
[M+NH4]+	358.248923	194.8
[M+K]+	379.178258	183.4
[M+H-H2O]+	323.212360	175.2
[M+HCOO]-	385.213301	197.0
[M+CH3COO]-	399.228951	215.3
[M+Na-2H]-	361.189766	187.0
[M]+	340.21455142	180.6
[M]-	340.21564858	180.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe