CID 36130

Brn 2506192

Structural Information

Molecular Formula

C₁₇H₂₂N₂O

SMILES

CCN(CC)CCNC(=O)C1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C17H22N2O/c1-3-19(4-2)13-12-18-17(20)16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,3-4,12-13H2,1-2H3,(H,18,20)

InChIKey

YQQYHGKBWVVGGB-UHFFFAOYSA-N

Compound name

N-[2-(diethylamino)ethyl]naphthalene-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 270.17322 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]+	271.180496	165.2
[M+Na]+	293.162438	169.9
[M-H]-	269.165944	170.2
[M+NH4]+	288.207043	182.5
[M+K]+	309.136378	167.0
[M+H-H2O]+	253.170480	157.2
[M+HCOO]-	315.171421	188.9
[M+CH3COO]-	329.187071	208.6
[M+Na-2H]-	291.147886	170.3
[M]+	270.17267142	166.8
[M]-	270.17376858	166.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe