PubChemLite - Silodosin (C25H32F3N3O4)

Structural Information

Molecular Formula

SMILES

C[C@H](CC1=CC2=C(C(=C1)C(=O)N)N(CC2)CCCO)NCCOC3=CC=CC=C3OCC(F)(F)F

InChI

InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1

InChIKey

PNCPYILNMDWPEY-QGZVFWFLSA-N

Compound name

1-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carboxamide

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]+	496.24178	214.7
[M+Na]+	518.22372	218.6
[M+NH4]+	513.26832	216.1
[M+K]+	534.19766	216.2
[M-H]-	494.22722	211.4
[M+Na-2H]-	516.20917	214.2
[M]+	495.23395	213.6
[M]-	495.23505	213.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

496.24178

214.7

[M+Na]+

518.22372

218.6

[M+NH4]+

513.26832

216.1

[M+K]+

534.19766

216.2

[M-H]-

494.22722

211.4

[M+Na-2H]-

516.20917

214.2

[M]+

495.23395

213.6

[M]-

495.23505

213.6

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

Silodosin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe