CID 44152638

5-(n-piperidino)-10,11-dihydro-5h-dibenzocycloheptene

Structural Information

Molecular Formula
C20H23N
SMILES
C1CCN(CC1)C2C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C20H23N/c1-6-14-21(15-7-1)20-18-10-4-2-8-16(18)12-13-17-9-3-5-11-19(17)20/h2-5,8-11,20H,1,6-7,12-15H2
InChIKey
SWEXRMKEMIMJHL-UHFFFAOYSA-N
Compound name
1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

277.18304 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.190316 166.1
[M+Na]+ 300.172258 169.9
[M-H]- 276.175764 172.6
[M+NH4]+ 295.216863 181.3
[M+K]+ 316.146198 167.2
[M+H-H2O]+ 260.180300 158.5
[M+HCOO]- 322.181241 180.6
[M+CH3COO]- 336.196891 175.4
[M+Na-2H]- 298.157706 170.8
[M]+ 277.18249142 157.3
[M]- 277.18358858 157.3
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