CID 4132834

N-(4-chlorobenzyl)-1-naphthamide

Structural Information

Molecular Formula

C₁₈H₁₄ClNO

SMILES

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

InChI

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

InChIKey

JTOKHCCLFPKMFM-UHFFFAOYSA-N

Compound name

N-[(4-chlorophenyl)methyl]naphthalene-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 295.0764 Da
Monoisotopic Mass: 5.0
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]+	296.083676	166.4
[M+Na]+	318.065618	174.6
[M-H]-	294.069124	173.7
[M+NH4]+	313.110223	183.1
[M+K]+	334.039558	167.7
[M+H-H2O]+	278.073660	159.0
[M+HCOO]-	340.074601	185.1
[M+CH3COO]-	354.090251	178.1
[M+Na-2H]-	316.051066	172.7
[M]+	295.07585142	168.1
[M]-	295.07694858	168.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.