CID 3054016

16-isopropoxystrychnine

Structural Information

Molecular Formula
C24H28N2O3
SMILES
CC(C)O[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/C24H28N2O3/c1-14(2)29-24-12-16-15-7-10-28-19-11-20(27)26-18-6-4-3-5-17(18)23(24,22(26)21(16)19)8-9-25(24)13-15/h3-7,14,16,19,21-22H,8-13H2,1-2H3/t16-,19-,21-,22-,23?,24+/m0/s1
InChIKey
MTHDSPZMZKVWPJ-SPPGWEOZSA-N
Compound name
(4aR,5aR,13aS,15aS,15bR)-5a-propan-2-yloxy-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

392.21 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.21728 188.4
[M+Na]+ 415.19922 196.3
[M+NH4]+ 410.24382 199.8
[M+K]+ 431.17316 190.9
[M-H]- 391.20272 189.6
[M+Na-2H]- 413.18467 185.6
[M]+ 392.20945 190.1
[M]- 392.21055 190.1
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.