CID 457313

N-(3-chlorobenzyl)-3-hydroxy-2-naphthamide

Structural Information

Molecular Formula
C18H14ClNO2
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)NCC3=CC(=CC=C3)Cl)O
InChI
InChI=1S/C18H14ClNO2/c19-15-7-3-4-12(8-15)11-20-18(22)16-9-13-5-1-2-6-14(13)10-17(16)21/h1-10,21H,11H2,(H,20,22)
InChIKey
LBMYRSCZQSYLKT-UHFFFAOYSA-N
Compound name
N-[(3-chlorophenyl)methyl]-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.07132 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.