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]+ 252.174676 160.9
[M+Na]+ 274.156618 165.7
[M-H]- 250.160124 162.6
[M+NH4]+ 269.201223 169.0
[M+K]+ 290.130558 164.1
[M+H-H2O]+ 234.164660 156.2
[M+HCOO]- 296.165601 168.8
[M+CH3COO]- 310.181251 165.1
[M+Na-2H]- 272.142066 161.7
[M]+ 251.16685142 160.2
[M]- 251.16794858 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.