Metabolite N-Desmethyl sildenafil

Name

N-Desmethyl sildenafil

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 376.43
Monoisotopic: 376.120526314

Chemical Formula

C₁₇H₂₀N₄O₄S

InChI Key

VACAHCFUDUBDNR-UHFFFAOYSA-N

InChI

InChI=1S/C17H20N4O4S/c1-4-6-12-14-15(21(3)20-12)17(22)19-16(18-14)11-9-10(26(23)24)7-8-13(11)25-5-2/h7-9,26H,4-6H2,1-3H3,(H,18,19,22)

IUPAC Name

5-(2-ethoxy-5-sulfonylphenyl)-1-methyl-3-propyl-1H,4H,7H-pyrazolo[4,3-d]pyrimidin-7-one

SMILES

[H]N1C2=C(N(N=C2C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C(=O)N=C1C1=C(OC([H])([H])C([H])([H])[H])C([H])=C([H])C(=C1[H])S(=O)=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-0009000000-94a008981b9a941bfdb2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0009000000-eeb6fafed2da2630a52d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-015a-0029000000-ed9ba48734bb79548032
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-0009000000-8143cce108d845a9cae6
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-9126000000-881d6dbba9fb6df5ad44
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0159-0093000000-8496191d5ffd89ec345b

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	174.94177	predicted	DeepCCS 1.0 (2019)
[M+H]+	176.86095	predicted	DeepCCS 1.0 (2019)
[M+Na]+	183.261	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties