CID 3056990

1-methyl-2-piperidyl 5-oxo-5h-dibenzo(a,d)cyclohepten-10-carboxylate hydrochloride

Structural Information

Molecular Formula
C22H21NO3
SMILES
CN1CCCCC1OC(=O)C2=CC3=CC=CC=C3C(=O)C4=CC=CC=C42
InChI
InChI=1S/C22H21NO3/c1-23-13-7-6-12-20(23)26-22(25)19-14-15-8-2-3-9-16(15)21(24)18-11-5-4-10-17(18)19/h2-5,8-11,14,20H,6-7,12-13H2,1H3
InChIKey
JRICLEWIXSDWTA-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-2-yl) 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.15213 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.15941 182.2
[M+Na]+ 370.14135 195.6
[M+NH4]+ 365.18595 189.7
[M+K]+ 386.11529 188.5
[M-H]- 346.14485 186.6
[M+Na-2H]- 368.12680 188.9
[M]+ 347.15158 185.5
[M]- 347.15268 185.5
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.