PubChemLite - Artemether (C16H26O5)

Structural Information

Molecular Formula

SMILES

C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC)C

InChI

InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1

InChIKey

SXYIRMFQILZOAM-HVNFFKDJSA-N

Compound name

(1R,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane

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]+	299.18528	163.2
[M+Na]+	321.16722	170.8
[M-H]-	297.17072	168.8
[M+NH4]+	316.21182	180.2
[M+K]+	337.14116	169.0
[M+H-H2O]+	281.17526	161.0
[M+HCOO]-	343.17620	166.9
[M+CH3COO]-	357.19185	172.1
[M+Na-2H]-	319.15267	172.4
[M]+	298.17745	164.4
[M]-	298.17855	164.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

299.18528

163.2

[M+Na]+

321.16722

170.8

[M-H]-

297.17072

168.8

[M+NH4]+

316.21182

180.2

[M+K]+

337.14116

169.0

[M+H-H2O]+

281.17526

161.0

[M+HCOO]-

343.17620

166.9

[M+CH3COO]-

357.19185

172.1

[M+Na-2H]-

319.15267

172.4

[M]+

298.17745

164.4

[M]-

298.17855

164.4

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

Artemether

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe