PubChemLite - Magnoflorine (C20H24NO4)

Structural Information

Molecular Formula

SMILES

C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C

InChI

InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1

InChIKey

YLRXAIKMLINXQY-ZDUSSCGKSA-O

Compound name

(6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,11-diol

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]+	343.17781	178.8
[M+Na]+	365.15975	195.4
[M+NH4]+	360.20435	190.0
[M+K]+	381.13369	186.4
[M-H]-	341.16325	183.0
[M+Na-2H]-	363.14520	183.6
[M]+	342.16998	183.1
[M]-	342.17108	183.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

343.17781

178.8

[M+Na]+

365.15975

195.4

[M+NH4]+

360.20435

190.0

[M+K]+

381.13369

186.4

[M-H]-

341.16325

183.0

[M+Na-2H]-

363.14520

183.6

[M]+

342.16998

183.1

[M]-

342.17108

183.1

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

Magnoflorine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe