CID 121327

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

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]+ 322.216536 178.4
[M+Na]+ 344.198478 182.1
[M-H]- 320.201984 184.9
[M+NH4]+ 339.243083 192.1
[M+K]+ 360.172418 180.0
[M+H-H2O]+ 304.206520 170.4
[M+HCOO]- 366.207461 192.4
[M+CH3COO]- 380.223111 187.0
[M+Na-2H]- 342.183926 181.4
[M]+ 321.20871142 172.0
[M]- 321.20980858 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.