CID 102639

1505-99-3

Structural Information

Molecular Formula

C₂₀H₂₆N₂O₂

SMILES

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

InChI

InChI=1S/C20H26N2O2/c1-2-20(19(21)23,10-11-22-12-14-24-15-13-22)18-9-5-7-16-6-3-4-8-17(16)18/h3-9H,2,10-15H2,1H3,(H2,21,23)

InChIKey

RWECDRYGVAHWOO-UHFFFAOYSA-N

Compound name

2-ethyl-4-morpholin-4-yl-2-naphthalen-1-ylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 326.19943 Da
Monoisotopic Mass: 2.8
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]+	327.206706	180.1
[M+Na]+	349.188648	182.8
[M-H]-	325.192154	184.6
[M+NH4]+	344.233253	191.1
[M+K]+	365.162588	179.4
[M+H-H2O]+	309.196690	170.8
[M+HCOO]-	371.197631	194.0
[M+CH3COO]-	385.213281	211.4
[M+Na-2H]-	347.174096	184.3
[M]+	326.19888142	176.5
[M]-	326.19997858	176.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe