CID 3068516

Piperidinocarbonyl-3 hydroxy-4 4h-benzo(4,5)cyclohepta(1,2-b)furanne [french]

Structural Information

Molecular Formula
C19H21NO3
SMILES
C1CCN(CC1)C(=O)C2=COC3=C2C(C4=CC=CC=C4CC3)O
InChI
InChI=1S/C19H21NO3/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/h2-3,6-7,12,18,21H,1,4-5,8-11H2
InChIKey
YKBOECWDHHDRIC-UHFFFAOYSA-N
Compound name
(2-hydroxy-6-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-4-yl)-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.15213 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15941 171.5
[M+Na]+ 334.14135 175.9
[M-H]- 310.14485 178.4
[M+NH4]+ 329.18595 185.4
[M+K]+ 350.11529 175.5
[M+H-H2O]+ 294.14939 165.1
[M+HCOO]- 356.15033 184.6
[M+CH3COO]- 370.16598 180.9
[M+Na-2H]- 332.12680 172.8
[M]+ 311.15158 165.4
[M]- 311.15268 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.