CID 2735936

1-(10,11-dihydro-5h-dibenzo[a,d]cyclohepten-5-yl)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

55
Patents

278.17828 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.185556 166.6
[M+Na]+ 301.167498 170.7
[M-H]- 277.171004 170.6
[M+NH4]+ 296.212103 179.8
[M+K]+ 317.141438 167.3
[M+H-H2O]+ 261.175540 157.9
[M+HCOO]- 323.176481 178.8
[M+CH3COO]- 337.192131 175.0
[M+Na-2H]- 299.152946 171.6
[M]+ 278.17773142 156.5
[M]- 278.17882858 156.5
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