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 170.5
[M+Na]+ 332.12572 175.7
[M-H]- 308.12922 178.7
[M+NH4]+ 327.17032 185.1
[M+K]+ 348.09966 175.3
[M+H-H2O]+ 292.13376 163.9
[M+HCOO]- 354.13470 185.2
[M+CH3COO]- 368.15035 180.6
[M+Na-2H]- 330.11117 172.1
[M]+ 309.13595 165.4
[M]- 309.13705 165.4
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.