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]+ 250.159026 160.4
[M+Na]+ 272.140968 165.3
[M-H]- 248.144474 162.0
[M+NH4]+ 267.185573 168.4
[M+K]+ 288.114908 163.5
[M+H-H2O]+ 232.149010 155.6
[M+HCOO]- 294.149951 168.4
[M+CH3COO]- 308.165601 164.6
[M+Na-2H]- 270.126416 161.1
[M]+ 249.15120142 159.4
[M]- 249.15229858 159.4
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.