CID 2845130

100073-45-8

Structural Information

Molecular Formula

C₁₇H₂₁NO

SMILES

CCN(CC)C(C)C(=O)C1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C17H21NO/c1-4-18(5-2)13(3)17(19)16-11-10-14-8-6-7-9-15(14)12-16/h6-13H,4-5H2,1-3H3

InChIKey

YODIAZBEBIXKAD-UHFFFAOYSA-N

Compound name

2-(diethylamino)-1-naphthalen-2-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 255.16231 Da
Monoisotopic Mass: 4.1
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]+	256.16959	161.5
[M+Na]+	278.15153	166.7
[M-H]-	254.15503	166.7
[M+NH4]+	273.19613	179.7
[M+K]+	294.12547	164.3
[M+H-H2O]+	238.15957	154.1
[M+HCOO]-	300.16051	183.1
[M+CH3COO]-	314.17616	205.2
[M+Na-2H]-	276.13698	165.0
[M]+	255.16176	163.3
[M]-	255.16286	163.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe