CID 481502

Chembl66078

Structural Information

Molecular Formula
C19H16ClNO3
SMILES
COC1=CC2=CC(=C(C=C2C=C1)O)C(=O)NCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H16ClNO3/c1-24-16-7-4-13-10-18(22)17(9-14(13)8-16)19(23)21-11-12-2-5-15(20)6-3-12/h2-10,22H,11H2,1H3,(H,21,23)
InChIKey
OOQRISXVIGQXSI-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-3-hydroxy-7-methoxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.08188 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.08916 177.0
[M+Na]+ 364.07110 185.8
[M-H]- 340.07460 183.6
[M+NH4]+ 359.11570 191.6
[M+K]+ 380.04504 179.6
[M+H-H2O]+ 324.07914 169.7
[M+HCOO]- 386.08008 194.2
[M+CH3COO]- 400.09573 211.2
[M+Na-2H]- 362.05655 181.1
[M]+ 341.08133 181.0
[M]- 341.08243 181.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.