CID 200053

16-ethoxystrychnine

Structural Information

Molecular Formula
C23H26N2O3
SMILES
CCO[C@]12C[C@@H]3[C@H]4[C@@H]5CC(=O)N6[C@@H]4C1(CCN2CC3=CCO5)C7=CC=CC=C76
InChI
InChI=1S/C23H26N2O3/c1-2-28-23-12-15-14-7-10-27-18-11-19(26)25-17-6-4-3-5-16(17)22(23,21(25)20(15)18)8-9-24(23)13-14/h3-7,15,18,20-21H,2,8-13H2,1H3/t15-,18-,20-,21-,22?,23+/m0/s1
InChIKey
BWCUFELTNOPYLM-KWNWVHFBSA-N
Compound name
(4aR,5aR,13aS,15aS,15bR)-5a-ethoxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.19434 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.20162 185.1
[M+Na]+ 401.18356 193.6
[M+NH4]+ 396.22816 196.8
[M+K]+ 417.15750 187.7
[M-H]- 377.18706 186.6
[M+Na-2H]- 399.16901 182.8
[M]+ 378.19379 187.0
[M]- 378.19489 187.0
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.