PubChemLite - Udenafil (C25H36N6O4S)

Structural Information

Molecular Formula

SMILES

CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)NCCC4CCCN4C)OCCC)C

InChI

InChI=1S/C25H36N6O4S/c1-5-8-20-22-23(31(4)29-20)25(32)28-24(27-22)19-16-18(10-11-21(19)35-15-6-2)36(33,34)26-13-12-17-9-7-14-30(17)3/h10-11,16-17,26H,5-9,12-15H2,1-4H3,(H,27,28,32)

InChIKey

IYFNEFQTYQPVOC-UHFFFAOYSA-N

Compound name

3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-propoxybenzenesulfonamide

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]+	517.25918	227.4
[M+Na]+	539.24112	235.5
[M-H]-	515.24462	231.9
[M+NH4]+	534.28572	231.7
[M+K]+	555.21506	228.3
[M+H-H2O]+	499.24916	218.3
[M+HCOO]-	561.25010	237.0
[M+CH3COO]-	575.26575	243.1
[M+Na-2H]-	537.22657	223.3
[M]+	516.25135	234.7
[M]-	516.25245	234.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

517.25918

227.4

[M+Na]+

539.24112

235.5

[M-H]-

515.24462

231.9

[M+NH4]+

534.28572

231.7

[M+K]+

555.21506

228.3

[M+H-H2O]+

499.24916

218.3

[M+HCOO]-

561.25010

237.0

[M+CH3COO]-

575.26575

243.1

[M+Na-2H]-

537.22657

223.3

[M]+

516.25135

234.7

[M]-

516.25245

234.7

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

Udenafil

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe