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 149.9
[M+Na]+ 274.08386 158.4
[M-H]- 250.08736 157.3
[M+NH4]+ 269.12846 163.3
[M+K]+ 290.05780 156.6
[M+H-H2O]+ 234.09190 138.1
[M+HCOO]- 296.09284 168.9
[M+CH3COO]- 310.10849 162.4
[M+Na-2H]- 272.06931 153.8
[M]+ 251.09409 158.4
[M]- 251.09519 158.4
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.