CID 481486

Chembl293187

Structural Information

Molecular Formula

C₁₈H₁₄ClNO₂

SMILES

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

InChI

InChI=1S/C18H14ClNO2/c19-15-7-5-12(6-8-15)11-20-18(22)16-9-13-3-1-2-4-14(13)10-17(16)21/h1-10,21H,11H2,(H,20,22)

InChIKey

GWSNJEKRMFRDKR-UHFFFAOYSA-N

Compound name

N-[(4-chlorophenyl)methyl]-3-hydroxynaphthalene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 311.07132 Da
Monoisotopic Mass: 4.8
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]+	312.07860	169.4
[M+Na]+	334.06054	177.9
[M-H]-	310.06404	175.7
[M+NH4]+	329.10514	185.0
[M+K]+	350.03448	171.0
[M+H-H2O]+	294.06858	162.3
[M+HCOO]-	356.06952	186.8
[M+CH3COO]-	370.08517	180.7
[M+Na-2H]-	332.04599	174.7
[M]+	311.07077	171.1
[M]-	311.07187	171.1

Literature stripe

literature stripe

Patent stripe

patents stripe