CID 116196

Brn 1489704

Structural Information

Molecular Formula
C19H17NO2
SMILES
C1CC2=CC=CC=C2C3(CC(=O)CNC3=O)C4=CC=CC=C41
InChI
InChI=1S/C19H17NO2/c21-15-11-19(18(22)20-12-15)16-7-3-1-5-13(16)9-10-14-6-2-4-8-17(14)19/h1-8H,9-12H2,(H,20,22)
InChIKey
FIYNHISZEOBKKX-UHFFFAOYSA-N
Compound name
spiro[piperidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.12592 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.133196 168.1
[M+Na]+ 314.115138 174.9
[M-H]- 290.118644 173.6
[M+NH4]+ 309.159743 184.7
[M+K]+ 330.089078 171.7
[M+H-H2O]+ 274.123180 160.8
[M+HCOO]- 336.124121 182.1
[M+CH3COO]- 350.139771 177.8
[M+Na-2H]- 312.100586 173.8
[M]+ 291.12537142 160.2
[M]- 291.12646858 160.2
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.