CID 209357

16-hydroxy-19-methyl-10-oxostrychnidin-19-ium

Structural Information

Molecular Formula
C22H25N2O3
SMILES
C[N+]12CCC34C1(CC5C6C3N(C(=O)CC6OCC=C5C2)C7=CC=CC=C47)O
InChI
InChI=1S/C22H25N2O3/c1-24-8-7-21-15-4-2-3-5-16(15)23-18(25)10-17-19(20(21)23)14(11-22(21,24)26)13(12-24)6-9-27-17/h2-6,14,17,19-20,26H,7-12H2,1H3/q+1
InChIKey
GKYGVZJKGMXQJI-UHFFFAOYSA-N
Compound name
5a-hydroxy-6-methyl-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-6-ium-14-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.18652 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.19380 177.3
[M+Na]+ 388.17574 187.2
[M+NH4]+ 383.22034 191.1
[M+K]+ 404.14968 180.7
[M-H]- 364.17924 179.9
[M+Na-2H]- 386.16119 177.1
[M]+ 365.18597 180.2
[M]- 365.18707 180.2
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.