PubChemLite - Galanthamine n-butylcarbamate (C22H30N2O4)

Structural Information

Molecular Formula

SMILES

CCCCNC(=O)O[C@H]1C[C@@H]2C3(CCN(CC4=C3C(=C(C=C4)OC)O2)C)C=C1

InChI

InChI=1S/C22H30N2O4/c1-4-5-11-23-21(25)27-16-8-9-22-10-12-24(2)14-15-6-7-17(26-3)20(19(15)22)28-18(22)13-16/h6-9,16,18H,4-5,10-14H2,1-3H3,(H,23,25)/t16-,18-,22?/m1/s1

InChIKey

NNDZUQPKOVVEPM-DVLOMUPFSA-N

Compound name

[(12R,14S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] N-butylcarbamate

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]+	387.22783	194.5
[M+Na]+	409.20977	198.6
[M-H]-	385.21327	200.2
[M+NH4]+	404.25437	209.1
[M+K]+	425.18371	198.8
[M+H-H2O]+	369.21781	187.0
[M+HCOO]-	431.21875	207.6
[M+CH3COO]-	445.23440	223.7
[M+Na-2H]-	407.19522	196.2
[M]+	386.22000	195.1
[M]-	386.22110	195.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

387.22783

194.5

[M+Na]+

409.20977

198.6

[M-H]-

385.21327

200.2

[M+NH4]+

404.25437

209.1

[M+K]+

425.18371

198.8

[M+H-H2O]+

369.21781

187.0

[M+HCOO]-

431.21875

207.6

[M+CH3COO]-

445.23440

223.7

[M+Na-2H]-

407.19522

196.2

[M]+

386.22000

195.1

[M]-

386.22110

195.1

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

Galanthamine n-butylcarbamate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe