CID 12304043

Corynantheal

Structural Information

Molecular Formula
C19H22N2O
SMILES
C=C[C@H]1CN2CCC3=C([C@@H]2C[C@@H]1CC=O)NC4=CC=CC=C34
InChI
InChI=1S/C19H22N2O/c1-2-13-12-21-9-7-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14(13)8-10-22/h2-6,10,13-14,18,20H,1,7-9,11-12H2/t13-,14-,18-/m0/s1
InChIKey
SERYQFDKEYVUFP-DEYYWGMASA-N
Compound name
2-[(2R,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]acetaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

294.17322 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 172.0
[M+Na]+ 317.16244 185.1
[M+NH4]+ 312.20704 180.9
[M+K]+ 333.13638 177.9
[M-H]- 293.16594 174.1
[M+Na-2H]- 315.14789 174.6
[M]+ 294.17267 174.4
[M]- 294.17377 174.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.