CID 135398744

Sildenafil

Structural Information

Molecular Formula
C22H30N6O4S
SMILES
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C
InChI
InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
InChIKey
BNRNXUUZRGQAQC-UHFFFAOYSA-N
Compound name
5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

7812
References

62165
Patents

474.20493 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.21221 218.5
[M+Na]+ 497.19415 228.3
[M-H]- 473.19765 221.1
[M+NH4]+ 492.23875 221.4
[M+K]+ 513.16809 220.4
[M+H-H2O]+ 457.20219 208.3
[M+HCOO]- 519.20313 224.3
[M+CH3COO]- 533.21878 233.1
[M+Na-2H]- 495.17960 216.1
[M]+ 474.20438 223.3
[M]- 474.20548 223.3
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

No patent data available for this compound.