CID 121325

Piperidine, 3-((10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-yl)oxy)-, fumarate (1:1)

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]+ 294.185256 169.3
[M+Na]+ 316.167198 172.6
[M-H]- 292.170704 174.5
[M+NH4]+ 311.211803 183.2
[M+K]+ 332.141138 170.0
[M+H-H2O]+ 276.175240 161.8
[M+HCOO]- 338.176181 182.6
[M+CH3COO]- 352.191831 177.8
[M+Na-2H]- 314.152646 173.8
[M]+ 293.17743142 160.3
[M]- 293.17852858 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.