CID 121327

3-((10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-yl)oxy)-1-ethylpiperidine maleate

Structural Information

Molecular Formula
C22H27NO
SMILES
CCN1CCCC(C1)OC2C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C22H27NO/c1-2-23-15-7-10-19(16-23)24-22-20-11-5-3-8-17(20)13-14-18-9-4-6-12-21(18)22/h3-6,8-9,11-12,19,22H,2,7,10,13-16H2,1H3
InChIKey
ZIIDLTDWLLBEDN-UHFFFAOYSA-N
Compound name
1-ethyl-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

321.20926 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.21654 180.5
[M+Na]+ 344.19848 193.0
[M+NH4]+ 339.24308 189.6
[M+K]+ 360.17242 184.5
[M-H]- 320.20198 185.9
[M+Na-2H]- 342.18393 187.0
[M]+ 321.20871 184.0
[M]- 321.20981 184.0
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.