CID 135565954

Sildenafil n-oxide

Structural Information

Molecular Formula
C22H30N6O5S
SMILES
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CC[N+](CC4)(C)[O-])OCC)C
InChI
InChI=1S/C22H30N6O5S/c1-5-7-17-19-20(26(3)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)33-6-2)34(31,32)27-10-12-28(4,30)13-11-27/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
InChIKey
JQGFLCMKCZPSEC-UHFFFAOYSA-N
Compound name
5-[2-ethoxy-5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

490.19983 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.20711 213.0
[M+Na]+ 513.18905 227.0
[M+NH4]+ 508.23365 217.2
[M+K]+ 529.16299 222.1
[M-H]- 489.19255 214.3
[M+Na-2H]- 511.17450 218.1
[M]+ 490.19928 215.7
[M]- 490.20038 215.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe