CID 2735936

1-(dibenzosuberyl)piperazine

Structural Information

Molecular Formula
C19H22N2
SMILES
C1CC2=CC=CC=C2C(C3=CC=CC=C31)N4CCNCC4
InChI
InChI=1S/C19H22N2/c1-3-7-17-15(5-1)9-10-16-6-2-4-8-18(16)19(17)21-13-11-20-12-14-21/h1-8,19-20H,9-14H2
InChIKey
MDBCLUYDTRHKCA-UHFFFAOYSA-N
Compound name
1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

52
Patents

278.17828 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18556 169.2
[M+Na]+ 301.16750 181.7
[M+NH4]+ 296.21210 178.2
[M+K]+ 317.14144 173.7
[M-H]- 277.17100 173.9
[M+Na-2H]- 299.15295 176.1
[M]+ 278.17773 172.5
[M]- 278.17883 172.5
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