CID 79513

2-naphthalenecarboxamide, n-(3-chlorophenyl)-3-hydroxy-

Structural Information

Molecular Formula
C17H12ClNO2
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC(=CC=C3)Cl)O
InChI
InChI=1S/C17H12ClNO2/c18-13-6-3-7-14(10-13)19-17(21)15-8-11-4-1-2-5-12(11)9-16(15)20/h1-10,20H,(H,19,21)
InChIKey
CUTAMZZNECWJOY-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

32
Patents

297.05566 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.06294 164.7
[M+Na]+ 320.04488 173.7
[M-H]- 296.04838 171.3
[M+NH4]+ 315.08948 180.9
[M+K]+ 336.01882 167.1
[M+H-H2O]+ 280.05292 157.9
[M+HCOO]- 342.05386 182.5
[M+CH3COO]- 356.06951 176.5
[M+Na-2H]- 318.03033 170.6
[M]+ 297.05511 166.2
[M]- 297.05621 166.2
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

patents stripe