Salutaridine (C19H21NO4)

Structural Information

Molecular Formula

SMILES

CN1CC[C@]23C=C(C(=O)C=C2[C@H]1CC4=C3C(=C(C=C4)OC)O)OC

InChI

InChI=1S/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3/t13-,19+/m1/s1

InChIKey

GVTRUVGBZQJVTF-YJYMSZOUSA-N

Compound name

(1S,9R)-3-hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one

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]+	328.15434	176.4
[M+Na]+	350.13628	184.9
[M-H]-	326.13978	180.1
[M+NH4]+	345.18088	193.4
[M+K]+	366.11022	180.7
[M+H-H2O]+	310.14432	167.5
[M+HCOO]-	372.14526	189.4
[M+CH3COO]-	386.16091	186.5
[M+Na-2H]-	348.12173	180.6
[M]+	327.14651	177.5
[M]-	327.14761	177.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

328.15434

176.4

[M+Na]+

350.13628

184.9

[M-H]-

326.13978

180.1

[M+NH4]+

345.18088

193.4

[M+K]+

366.11022

180.7

[M+H-H2O]+

310.14432

167.5

[M+HCOO]-

372.14526

189.4

[M+CH3COO]-

386.16091

186.5

[M+Na-2H]-

348.12173

180.6

[M]+

327.14651

177.5

[M]-

327.14761

177.5

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

Salutaridine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe