CID 169502272

Sildenafil metabolite m6

Structural Information

Molecular Formula
C22H28N6O4S
SMILES
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(C=C4)C)OCC)C
InChI
InChI=1S/C22H28N6O4S/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/h8-10,12,14H,5-7,11,13H2,1-4H3,(H,23,24,29)
InChIKey
ZJBONSMOXILGLV-UHFFFAOYSA-N
Compound name
5-[2-ethoxy-5-[(4-methyl-2,3-dihydropyrazin-1-yl)sulfonyl]phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

472.18927 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.19655 218.0
[M+Na]+ 495.17849 228.7
[M-H]- 471.18199 221.0
[M+NH4]+ 490.22309 221.0
[M+K]+ 511.15243 220.5
[M+H-H2O]+ 455.18653 207.7
[M+HCOO]- 517.18747 225.0
[M+CH3COO]- 531.20312 232.7
[M+Na-2H]- 493.16394 216.4
[M]+ 472.18872 224.0
[M]- 472.18982 224.0
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.