CID 205516

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

Structural Information

Molecular Formula
C18H21N
SMILES
CCCN1CC2=CC=CC=C2CC3=CC=CC=C3C1
InChI
InChI=1S/C18H21N/c1-2-11-19-13-17-9-5-3-7-15(17)12-16-8-4-6-10-18(16)14-19/h3-10H,2,11-14H2,1H3
InChIKey
YURKRWZPUSFCKY-UHFFFAOYSA-N
Compound name
11-propyl-10,12-dihydro-5H-benzo[d][2]benzazocine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.1674 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17468 160.9
[M+Na]+ 274.15662 165.7
[M-H]- 250.16012 162.6
[M+NH4]+ 269.20122 169.0
[M+K]+ 290.13056 164.1
[M+H-H2O]+ 234.16466 156.2
[M+HCOO]- 296.16560 168.8
[M+CH3COO]- 310.18125 165.1
[M+Na-2H]- 272.14207 161.7
[M]+ 251.16685 160.2
[M]- 251.16795 160.2
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.