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

2
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

patents stripe