CID 121325

3-((10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-yl)oxy)piperidine fumarate

Structural Information

Molecular Formula
C20H23NO
SMILES
C1CC(CNC1)OC2C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C20H23NO/c1-3-9-18-15(6-1)11-12-16-7-2-4-10-19(16)20(18)22-17-8-5-13-21-14-17/h1-4,6-7,9-10,17,20-21H,5,8,11-14H2
InChIKey
XWYSDVZMNDZLPN-UHFFFAOYSA-N
Compound name
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.17798 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 169.3
[M+Na]+ 316.16720 172.6
[M-H]- 292.17070 174.5
[M+NH4]+ 311.21180 183.2
[M+K]+ 332.14114 170.0
[M+H-H2O]+ 276.17524 161.8
[M+HCOO]- 338.17618 182.6
[M+CH3COO]- 352.19183 177.8
[M+Na-2H]- 314.15265 173.8
[M]+ 293.17743 160.3
[M]- 293.17853 160.3
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.