CID 69448

N-1-naphthylbenzamide

Structural Information

Molecular Formula
C17H13NO
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C17H13NO/c19-17(14-8-2-1-3-9-14)18-16-12-6-10-13-7-4-5-11-15(13)16/h1-12H,(H,18,19)
InChIKey
ALANUUFGKYEMNI-UHFFFAOYSA-N
Compound name
N-naphthalen-1-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

126
Patents

247.09972 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.10700 154.5
[M+Na]+ 270.08894 161.3
[M-H]- 246.09244 161.8
[M+NH4]+ 265.13354 171.9
[M+K]+ 286.06288 156.3
[M+H-H2O]+ 230.09698 146.4
[M+HCOO]- 292.09792 178.0
[M+CH3COO]- 306.11357 166.7
[M+Na-2H]- 268.07439 162.6
[M]+ 247.09917 152.9
[M]- 247.10027 152.9
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