CID 129211

Tamsulosin

Structural Information

Molecular Formula
C20H28N2O5S
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

compound 2d structure
7
Annotation Hits

2003
References

26680
Patents

408.1719 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.17918 196.5
[M+Na]+ 431.16112 205.5
[M+NH4]+ 426.20572 201.2
[M+K]+ 447.13506 198.7
[M-H]- 407.16462 199.0
[M+Na-2H]- 429.14657 201.5
[M]+ 408.17135 198.7
[M]- 408.17245 198.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe