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 171.2
[M+Na]+ 317.16244 178.8
[M-H]- 293.16594 172.6
[M+NH4]+ 312.20704 188.1
[M+K]+ 333.13638 171.0
[M+H-H2O]+ 277.17048 162.7
[M+HCOO]- 339.17142 184.4
[M+CH3COO]- 353.18707 180.7
[M+Na-2H]- 315.14789 173.5
[M]+ 294.17267 167.8
[M]- 294.17377 167.8
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.