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 182.5
[M+Na]+ 387.16790 189.3
[M-H]- 363.17140 186.4
[M+NH4]+ 382.21250 203.3
[M+K]+ 403.14184 182.7
[M+H-H2O]+ 347.17594 173.0
[M+HCOO]- 409.17688 186.9
[M+CH3COO]- 423.19253 190.3
[M+Na-2H]- 385.15335 184.7
[M]+ 364.17813 181.1
[M]- 364.17923 181.1
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.