PubChemLite - Piperiacetildenafil (C24H31N5O3)

Structural Information

Molecular Formula

SMILES

CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)C(=O)CN4CCCCC4)OCC)C

InChI

InChI=1S/C24H31N5O3/c1-4-9-18-21-22(28(3)27-18)24(31)26-23(25-21)17-14-16(10-11-20(17)32-5-2)19(30)15-29-12-7-6-8-13-29/h10-11,14H,4-9,12-13,15H2,1-3H3,(H,25,26,31)

InChIKey

SOYQUYOYQKGWNR-UHFFFAOYSA-N

Compound name

5-[2-ethoxy-5-(2-piperidin-1-ylacetyl)phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-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]+	438.24996	210.8
[M+Na]+	460.23190	217.9
[M-H]-	436.23540	213.5
[M+NH4]+	455.27650	215.2
[M+K]+	476.20584	210.2
[M+H-H2O]+	420.23994	198.2
[M+HCOO]-	482.24088	221.8
[M+CH3COO]-	496.25653	217.0
[M+Na-2H]-	458.21735	207.8
[M]+	437.24213	212.2
[M]-	437.24323	212.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

438.24996

210.8

[M+Na]+

460.23190

217.9

[M-H]-

436.23540

213.5

[M+NH4]+

455.27650

215.2

[M+K]+

476.20584

210.2

[M+H-H2O]+

420.23994

198.2

[M+HCOO]-

482.24088

221.8

[M+CH3COO]-

496.25653

217.0

[M+Na-2H]-

458.21735

207.8

[M]+

437.24213

212.2

[M]-

437.24323

212.2

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

Piperiacetildenafil

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe