CID 135565700

Oxohongdenafil

Structural Information

Molecular Formula
C25H32N6O4
SMILES
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)C(=O)CN4CCN(C(=O)C4)CC)OCC)C
InChI
InChI=1S/C25H32N6O4/c1-5-8-18-22-23(29(4)28-18)25(34)27-24(26-22)17-13-16(9-10-20(17)35-7-3)19(32)14-30-11-12-31(6-2)21(33)15-30/h9-10,13H,5-8,11-12,14-15H2,1-4H3,(H,26,27,34)
InChIKey
ADYHMKHETXNXBT-UHFFFAOYSA-N
Compound name
5-[2-ethoxy-5-[2-(4-ethyl-3-oxopiperazin-1-yl)acetyl]phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.2485 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.25578 222.8
[M+Na]+ 503.23772 231.0
[M-H]- 479.24122 224.9
[M+NH4]+ 498.28232 224.4
[M+K]+ 519.21166 223.1
[M+H-H2O]+ 463.24576 210.1
[M+HCOO]- 525.24670 232.3
[M+CH3COO]- 539.26235 239.8
[M+Na-2H]- 501.22317 218.0
[M]+ 480.24795 226.5
[M]- 480.24905 226.5
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.