CID 12303796

Alpha-colubrine

Structural Information

Molecular Formula
C22H24N2O3
SMILES
COC1=CC2=C(C=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5
InChI
InChI=1S/C22H24N2O3/c1-26-13-2-3-15-16(8-13)24-19(25)10-17-20-14-9-18-22(15,21(20)24)5-6-23(18)11-12(14)4-7-27-17/h2-4,8,14,17-18,20-21H,5-7,9-11H2,1H3/t14-,17-,18-,20-,21-,22+/m0/s1
InChIKey
CAPUGADOGHKUQS-JPPAUQSISA-N
Compound name
(4aR,5aS,8aR,13aS,15aS,15bR)-11-methoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

364.17868 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.18596 181.6
[M+Na]+ 387.16790 190.6
[M+NH4]+ 382.21250 192.3
[M+K]+ 403.14184 186.6
[M-H]- 363.17140 183.3
[M+Na-2H]- 385.15335 178.2
[M]+ 364.17813 183.5
[M]- 364.17923 183.5
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.