CID 46477

64037-98-5

Structural Information

Molecular Formula

C₁₆H₁₃NO₂

SMILES

C1CC2C1C(=O)N(C2=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C16H13NO2/c18-15-13-7-8-14(13)16(19)17(15)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13-14H,7-8H2

InChIKey

MEPLOLSWPMRINS-UHFFFAOYSA-N

Compound name

3-naphthalen-2-yl-3-azabicyclo[3.2.0]heptane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 251.09464 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	252.101916	149.9
[M+Na]+	274.083858	158.4
[M-H]-	250.087364	157.3
[M+NH4]+	269.128463	163.3
[M+K]+	290.057798	156.6
[M+H-H2O]+	234.091900	138.1
[M+HCOO]-	296.092841	168.9
[M+CH3COO]-	310.108491	162.4
[M+Na-2H]-	272.069306	153.8
[M]+	251.09409142	158.4
[M]-	251.09518858	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.