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]+ 312.159406 171.5
[M+Na]+ 334.141348 175.9
[M-H]- 310.144854 178.4
[M+NH4]+ 329.185953 185.4
[M+K]+ 350.115288 175.5
[M+H-H2O]+ 294.149390 165.1
[M+HCOO]- 356.150331 184.6
[M+CH3COO]- 370.165981 180.9
[M+Na-2H]- 332.126796 172.8
[M]+ 311.15158142 165.4
[M]- 311.15267858 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.