CID 3659429

Chembl492668

Structural Information

Molecular Formula

C₁₅H₁₈N₂O₂

SMILES

CN(C)CCNC(=O)C1=CC2=CC=CC=C2C=C1O

InChI

InChI=1S/C15H18N2O2/c1-17(2)8-7-16-15(19)13-9-11-5-3-4-6-12(11)10-14(13)18/h3-6,9-10,18H,7-8H2,1-2H3,(H,16,19)

InChIKey

PTYBNDTVHWXPPT-UHFFFAOYSA-N

Compound name

N-[2-(dimethylamino)ethyl]-3-hydroxynaphthalene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 258.13684 Da
Monoisotopic Mass: 2.7
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]+	259.14412	159.0
[M+Na]+	281.12606	165.0
[M-H]-	257.12956	163.4
[M+NH4]+	276.17066	176.4
[M+K]+	297.10000	162.4
[M+H-H2O]+	241.13410	151.8
[M+HCOO]-	303.13504	182.1
[M+CH3COO]-	317.15069	203.4
[M+Na-2H]-	279.11151	164.1
[M]+	258.13629	159.9
[M]-	258.13739	159.9

Literature stripe

literature stripe

Patent stripe

patents stripe