PubChemLite - 16-hydroxy-19-methyl-10-oxostrychnidin-19-ium (C22H25N2O3)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	366.19380	183.2
[M+Na]+	388.17574	190.5
[M-H]-	364.17924	186.4
[M+NH4]+	383.22034	205.0
[M+K]+	404.14968	177.6
[M+H-H2O]+	348.18378	175.3
[M+HCOO]-	410.18472	185.8
[M+CH3COO]-	424.20037	190.5
[M+Na-2H]-	386.16119	188.3
[M]+	365.18597	179.3
[M]-	365.18707	179.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

366.19380

183.2

[M+Na]+

388.17574

190.5

[M-H]-

364.17924

186.4

[M+NH4]+

383.22034

205.0

[M+K]+

404.14968

177.6

[M+H-H2O]+

348.18378

175.3

[M+HCOO]-

410.18472

185.8

[M+CH3COO]-

424.20037

190.5

[M+Na-2H]-

386.16119

188.3

[M]+

365.18597

179.3

[M]-

365.18707

179.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe