PubChemLite - Galanthamine (C17H21NO3)

Structural Information

Molecular Formula

SMILES

CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O

InChI

InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1

InChIKey

ASUTZQLVASHGKV-JDFRZJQESA-N

Compound name

(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[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]+	288.15941	166.8
[M+Na]+	310.14135	173.7
[M-H]-	286.14485	172.2
[M+NH4]+	305.18595	185.1
[M+K]+	326.11529	172.9
[M+H-H2O]+	270.14939	160.7
[M+HCOO]-	332.15033	179.9
[M+CH3COO]-	346.16598	177.3
[M+Na-2H]-	308.12680	170.8
[M]+	287.15158	164.9
[M]-	287.15268	164.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

288.15941

166.8

[M+Na]+

310.14135

173.7

[M-H]-

286.14485

172.2

[M+NH4]+

305.18595

185.1

[M+K]+

326.11529

172.9

[M+H-H2O]+

270.14939

160.7

[M+HCOO]-

332.15033

179.9

[M+CH3COO]-

346.16598

177.3

[M+Na-2H]-

308.12680

170.8

[M]+

287.15158

164.9

[M]-

287.15268

164.9

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

Galanthamine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe