CID 199843

Pseudostrychnine methyl ether

Structural Information

Molecular Formula
C22H24N2O3
SMILES
CO[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/C22H24N2O3/c1-26-22-11-14-13-6-9-27-17-10-18(25)24-16-5-3-2-4-15(16)21(22,20(24)19(14)17)7-8-23(22)12-13/h2-6,14,17,19-20H,7-12H2,1H3/t14-,17-,19-,20-,21?,22+/m0/s1
InChIKey
BMDMNLBIKSAWCI-YSSRSQPBSA-N
Compound name
(4aR,5aR,13aS,15aS,15bR)-5a-methoxy-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

364.17868 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.18596 181.0
[M+Na]+ 387.16790 189.7
[M+NH4]+ 382.21250 192.8
[M+K]+ 403.14184 184.0
[M-H]- 363.17140 182.5
[M+Na-2H]- 385.15335 179.0
[M]+ 364.17813 183.0
[M]- 364.17923 183.0
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.