CID 457324

N-(4-chlorobenzyl)-2-naphthamide

Structural Information

Molecular Formula

C₁₈H₁₄ClNO

SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H14ClNO/c19-17-9-5-13(6-10-17)12-20-18(21)16-8-7-14-3-1-2-4-15(14)11-16/h1-11H,12H2,(H,20,21)

InChIKey

ZYHYXAJELFULHC-UHFFFAOYSA-N

Compound name

N-[(4-chlorophenyl)methyl]naphthalene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 295.0764 Da
Monoisotopic Mass: 5.2
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]+	296.08368	166.4
[M+Na]+	318.06562	174.6
[M-H]-	294.06912	173.7
[M+NH4]+	313.11022	183.1
[M+K]+	334.03956	167.7
[M+H-H2O]+	278.07366	159.0
[M+HCOO]-	340.07460	185.1
[M+CH3COO]-	354.09025	178.1
[M+Na-2H]-	316.05107	172.7
[M]+	295.07585	168.1
[M]-	295.07695	168.1

Literature stripe

literature stripe

Patent stripe

patents stripe