CID 3057040

1-methyl-2-piperidyl 5h-dibenz(a,d)cyclohepten-10-carboxylate hydrogen maleate

Structural Information

Molecular Formula
C22H23NO2
SMILES
CN1CCCCC1OC(=O)C2=CC3=CC=CC=C3CC4=CC=CC=C42
InChI
InChI=1S/C22H23NO2/c1-23-13-7-6-12-21(23)25-22(24)20-15-17-9-3-2-8-16(17)14-18-10-4-5-11-19(18)20/h2-5,8-11,15,21H,6-7,12-14H2,1H3
InChIKey
PKMZZBASRXDLNJ-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-2-yl) tricyclo[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

333.17288 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.18016 179.5
[M+Na]+ 356.16210 184.2
[M-H]- 332.16560 186.6
[M+NH4]+ 351.20670 192.8
[M+K]+ 372.13604 182.9
[M+H-H2O]+ 316.17014 171.8
[M+HCOO]- 378.17108 194.3
[M+CH3COO]- 392.18673 188.6
[M+Na-2H]- 354.14755 182.7
[M]+ 333.17233 174.6
[M]- 333.17343 174.6
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.