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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10192 152.6
[M+Na]+ 274.08386 162.1
[M+NH4]+ 269.12846 158.0
[M+K]+ 290.05780 158.3
[M-H]- 250.08736 153.7
[M+Na-2H]- 272.06931 155.9
[M]+ 251.09409 153.1
[M]- 251.09519 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.