CID 6437915

6-allyl-6,7-dihydro-6-methyl-5h-dibenz(c,e)azepinium iodide

Structural Information

Molecular Formula
C18H20N
SMILES
C/C=C/[N+]1(C2=CC=CC=C2CCC3=CC=CC=C31)C
InChI
InChI=1S/C18H20N/c1-3-14-19(2)17-10-6-4-8-15(17)12-13-16-9-5-7-11-18(16)19/h3-11,14H,12-13H2,1-2H3/q+1/b14-3+
InChIKey
JJDIFQBBTIDIPU-LZWSPWQCSA-N
Compound name
11-methyl-11-[(E)-prop-1-enyl]-5,6-dihydrobenzo[b][1]benzazepin-11-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.15958 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16686 159.3
[M+Na]+ 273.14880 166.6
[M-H]- 249.15230 164.6
[M+NH4]+ 268.19340 178.2
[M+K]+ 289.12274 158.6
[M+H-H2O]+ 233.15684 155.5
[M+HCOO]- 295.15778 177.0
[M+CH3COO]- 309.17343 191.5
[M+Na-2H]- 271.13425 168.6
[M]+ 250.15903 154.6
[M]- 250.16013 154.6
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.