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 186.7
[M+Na]+ 401.18356 193.1
[M-H]- 377.18706 190.4
[M+NH4]+ 396.22816 207.0
[M+K]+ 417.15750 186.3
[M+H-H2O]+ 361.19160 177.1
[M+HCOO]- 423.19254 190.8
[M+CH3COO]- 437.20819 194.1
[M+Na-2H]- 399.16901 188.4
[M]+ 378.19379 185.5
[M]- 378.19489 185.5
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.