PubChemLite - Galanthamine n-oxide (C17H21NO4)

Structural Information

Molecular Formula

SMILES

C[N+]1(CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O)[O-]

InChI

InChI=1S/C17H21NO4/c1-18(20)8-7-17-6-5-12(19)9-14(17)22-16-13(21-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-,18?/m0/s1

InChIKey

LROQBKNDGTWXET-FVWDGWMTSA-N

Compound name

(1S,12S,14R)-9-methoxy-4-methyl-4-oxido-11-oxa-4-azoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol

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]+	304.15434	170.9
[M+Na]+	326.13628	177.3
[M-H]-	302.13978	175.1
[M+NH4]+	321.18088	189.3
[M+K]+	342.11022	171.3
[M+H-H2O]+	286.14432	169.0
[M+HCOO]-	348.14526	182.8
[M+CH3COO]-	362.16091	194.2
[M+Na-2H]-	324.12173	177.6
[M]+	303.14651	166.6
[M]-	303.14761	166.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

304.15434

170.9

[M+Na]+

326.13628

177.3

[M-H]-

302.13978

175.1

[M+NH4]+

321.18088

189.3

[M+K]+

342.11022

171.3

[M+H-H2O]+

286.14432

169.0

[M+HCOO]-

348.14526

182.8

[M+CH3COO]-

362.16091

194.2

[M+Na-2H]-

324.12173

177.6

[M]+

303.14651

166.6

[M]-

303.14761

166.6

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

Galanthamine n-oxide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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