CID 121323

Piperidine, 4-((10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-yl)oxy)-, maleate (1:1)

Structural Information

Molecular Formula
C20H23NO
SMILES
C1CNCCC1OC2C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C20H23NO/c1-3-7-18-15(5-1)9-10-16-6-2-4-8-19(16)20(18)22-17-11-13-21-14-12-17/h1-8,17,20-21H,9-14H2
InChIKey
ICSGHZYFNMJUDZ-UHFFFAOYSA-N
Compound name
4-(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

1
References

2
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

literature stripe

Patent stripe

patents stripe