PubChemLite - Tamsulosin (C20H28N2O5S)

Structural Information

Molecular Formula

SMILES

CCOC1=CC=CC=C1OCCN[C@H](C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N

InChI

InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1

InChIKey

DRHKJLXJIQTDTD-OAHLLOKOSA-N

Compound name

5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide

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]+	409.17918	196.2
[M+Na]+	431.16112	200.6
[M-H]-	407.16462	201.7
[M+NH4]+	426.20572	206.1
[M+K]+	447.13506	196.9
[M+H-H2O]+	391.16916	186.9
[M+HCOO]-	453.17010	213.3
[M+CH3COO]-	467.18575	226.9
[M+Na-2H]-	429.14657	196.9
[M]+	408.17135	202.6
[M]-	408.17245	202.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

409.17918

196.2

[M+Na]+

431.16112

200.6

[M-H]-

407.16462

201.7

[M+NH4]+

426.20572

206.1

[M+K]+

447.13506

196.9

[M+H-H2O]+

391.16916

186.9

[M+HCOO]-

453.17010

213.3

[M+CH3COO]-

467.18575

226.9

[M+Na-2H]-

429.14657

196.9

[M]+

408.17135

202.6

[M]-

408.17245

202.6

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

Tamsulosin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe