CID 205518

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

Structural Information

Molecular Formula
C18H19N
SMILES
C=CCN1CC2=CC=CC=C2CC3=CC=CC=C3C1
InChI
InChI=1S/C18H19N/c1-2-11-19-13-17-9-5-3-7-15(17)12-16-8-4-6-10-18(16)14-19/h2-10H,1,11-14H2
InChIKey
VPUMUQABHHZXLE-UHFFFAOYSA-N
Compound name
11-prop-2-enyl-10,12-dihydro-5H-benzo[d][2]benzazocine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.15175 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.15903 158.6
[M+Na]+ 272.14097 163.4
[M+NH4]+ 267.18557 161.8
[M+K]+ 288.11491 161.0
[M-H]- 248.14447 160.0
[M+Na-2H]- 270.12642 161.7
[M]+ 249.15120 159.7
[M]- 249.15230 159.7
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.