CID 88634

20653-04-7

Structural Information

Molecular Formula
C19H15NO2
SMILES
C1=CC=C(C=C1)C(=O)CC(=O)NC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C19H15NO2/c21-18(15-8-2-1-3-9-15)13-19(22)20-17-12-6-10-14-7-4-5-11-16(14)17/h1-12H,13H2,(H,20,22)
InChIKey
VZTJKEXGPHAIKK-UHFFFAOYSA-N
Compound name
N-naphthalen-1-yl-3-oxo-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

289.1103 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11758 166.3
[M+Na]+ 312.09952 172.0
[M-H]- 288.10302 173.4
[M+NH4]+ 307.14412 181.7
[M+K]+ 328.07346 167.2
[M+H-H2O]+ 272.10756 157.8
[M+HCOO]- 334.10850 188.5
[M+CH3COO]- 348.12415 204.3
[M+Na-2H]- 310.08497 172.2
[M]+ 289.10975 165.5
[M]- 289.11085 165.5
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