CID 3068507

Piperidine, 1-((9,10-dihydro-4-oxo-4h-benzo(4,5)cyclohepta(1,2-b)furan-3-yl)carbonyl)-

Structural Information

Molecular Formula
C19H19NO3
SMILES
C1CCN(CC1)C(=O)C2=COC3=C2C(=O)C4=CC=CC=C4CC3
InChI
InChI=1S/C19H19NO3/c21-18-14-7-3-2-6-13(14)8-9-16-17(18)15(12-23-16)19(22)20-10-4-1-5-11-20/h2-3,6-7,12H,1,4-5,8-11H2
InChIKey
OPOVUMHLMNPXPL-UHFFFAOYSA-N
Compound name
4-(piperidine-1-carbonyl)-6-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1365 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14378 174.5
[M+Na]+ 332.12572 184.9
[M+NH4]+ 327.17032 182.0
[M+K]+ 348.09966 181.1
[M-H]- 308.12922 178.8
[M+Na-2H]- 330.11117 178.1
[M]+ 309.13595 177.1
[M]- 309.13705 177.1
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.