PubChemLite - Gisadenafil (C23H33N7O5S)

Structural Information

Molecular Formula

SMILES

CCC1=C2C(=NN1CCOC)C(=O)NC(=N2)C3=C(N=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC

InChI

InChI=1S/C23H33N7O5S/c1-5-18-19-20(27-30(18)12-13-34-4)22(31)26-21(25-19)17-14-16(15-24-23(17)35-7-3)36(32,33)29-10-8-28(6-2)9-11-29/h14-15H,5-13H2,1-4H3,(H,25,26,31)

InChIKey

YPFZMBHKIVDSNR-UHFFFAOYSA-N

Compound name

5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-3-yl]-3-ethyl-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-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]+	520.23368	225.3
[M+Na]+	542.21562	237.4
[M+NH4]+	537.26022	226.6
[M+K]+	558.18956	232.8
[M-H]-	518.21912	224.9
[M+Na-2H]-	540.20107	228.0
[M]+	519.22585	227.0
[M]-	519.22695	227.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

520.23368

225.3

[M+Na]+

542.21562

237.4

[M+NH4]+

537.26022

226.6

[M+K]+

558.18956

232.8

[M-H]-

518.21912

224.9

[M+Na-2H]-

540.20107

228.0

[M]+

519.22585

227.0

[M]-

519.22695

227.0

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

Gisadenafil

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe