CID 205505

Dibenz(c,f)azocine, 5,6,7,12-tetrahydro-6-benzyl-

Structural Information

Molecular Formula
C22H21N
SMILES
C1C2=CC=CC=C2CN(CC3=CC=CC=C31)CC4=CC=CC=C4
InChI
InChI=1S/C22H21N/c1-2-8-18(9-3-1)15-23-16-21-12-6-4-10-19(21)14-20-11-5-7-13-22(20)17-23/h1-13H,14-17H2
InChIKey
UUJDLOYOKTYJLS-UHFFFAOYSA-N
Compound name
11-benzyl-10,12-dihydro-5H-benzo[d][2]benzazocine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1674 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.17468 165.2
[M+Na]+ 322.15662 169.6
[M-H]- 298.16012 168.0
[M+NH4]+ 317.20122 172.0
[M+K]+ 338.13056 167.3
[M+H-H2O]+ 282.16466 159.6
[M+HCOO]- 344.16560 172.9
[M+CH3COO]- 358.18125 169.0
[M+Na-2H]- 320.14207 166.0
[M]+ 299.16685 163.7
[M]- 299.16795 163.7
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.