CID 457311

N-benzyl-3-hydroxy-2-naphthamide

Structural Information

Molecular Formula
C18H15NO2
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC3=CC=CC=C3C=C2O
InChI
InChI=1S/C18H15NO2/c20-17-11-15-9-5-4-8-14(15)10-16(17)18(21)19-12-13-6-2-1-3-7-13/h1-11,20H,12H2,(H,19,21)
InChIKey
VFKWHSRZSNRCNU-UHFFFAOYSA-N
Compound name
N-benzyl-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

277.1103 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11758 162.5
[M+Na]+ 300.09952 169.2
[M-H]- 276.10302 168.7
[M+NH4]+ 295.14412 178.2
[M+K]+ 316.07346 163.9
[M+H-H2O]+ 260.10756 154.5
[M+HCOO]- 322.10850 184.4
[M+CH3COO]- 336.12415 173.8
[M+Na-2H]- 298.08497 169.0
[M]+ 277.10975 161.4
[M]- 277.11085 161.4
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