CID 79669

5538-57-8

Structural Information

Molecular Formula

C₁₉H₁₇NO₃

SMILES

CC1=CC=CC=C1NC(=O)C2=C(C=C3C=CC(=CC3=C2)OC)O

InChI

InChI=1S/C19H17NO3/c1-12-5-3-4-6-17(12)20-19(22)16-10-14-9-15(23-2)8-7-13(14)11-18(16)21/h3-11,21H,1-2H3,(H,20,22)

InChIKey

ISYIACJPZHHKAB-UHFFFAOYSA-N

Compound name

3-hydroxy-7-methoxy-N-(2-methylphenyl)naphthalene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 6
Patents: 307.12085 Da
Monoisotopic Mass: 4.5
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]+	308.128126	170.8
[M+Na]+	330.110068	178.6
[M-H]-	306.113574	177.5
[M+NH4]+	325.154673	185.8
[M+K]+	346.084008	174.1
[M+H-H2O]+	290.118110	162.6
[M+HCOO]-	352.119051	192.4
[M+CH3COO]-	366.134701	207.6
[M+Na-2H]-	328.095516	175.3
[M]+	307.12030142	172.2
[M]-	307.12139858	172.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe