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 178.4
[M+Na]+ 344.19848 182.1
[M-H]- 320.20198 184.9
[M+NH4]+ 339.24308 192.1
[M+K]+ 360.17242 180.0
[M+H-H2O]+ 304.20652 170.4
[M+HCOO]- 366.20746 192.4
[M+CH3COO]- 380.22311 187.0
[M+Na-2H]- 342.18393 181.4
[M]+ 321.20871 172.0
[M]- 321.20981 172.0
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.