CID 66714

92-72-8

Structural Information

Molecular Formula

C₁₉H₁₆ClNO₄

SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC3=CC=CC=C3C=C2O)Cl)OC

InChI

InChI=1S/C19H16ClNO4/c1-24-17-10-18(25-2)15(9-14(17)20)21-19(23)13-7-11-5-3-4-6-12(11)8-16(13)22/h3-10,22H,1-2H3,(H,21,23)

InChIKey

XDWATWCCUTYUDE-UHFFFAOYSA-N

Compound name

N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 224
Patents: 357.07678 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]+	358.084056	179.8
[M+Na]+	380.065998	189.3
[M-H]-	356.069504	186.8
[M+NH4]+	375.110603	194.0
[M+K]+	396.039938	184.0
[M+H-H2O]+	340.074040	172.5
[M+HCOO]-	402.074981	197.2
[M+CH3COO]-	416.090631	214.7
[M+Na-2H]-	378.051446	183.4
[M]+	357.07623142	185.6
[M]-	357.07732858	185.6

Literature stripe

literature stripe

Patent stripe

patents stripe