CID 135559102

Gendenafil

Structural Information

Molecular Formula
C19H22N4O3
SMILES
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)C(=O)C)OCC)C
InChI
InChI=1S/C19H22N4O3/c1-5-7-14-16-17(23(4)22-14)19(25)21-18(20-16)13-10-12(11(3)24)8-9-15(13)26-6-2/h8-10H,5-7H2,1-4H3,(H,20,21,25)
InChIKey
YJBDHZKAVGNHET-UHFFFAOYSA-N
Compound name
5-(5-acetyl-2-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

354.1692 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.17648 186.5
[M+Na]+ 377.15842 198.0
[M-H]- 353.16192 189.1
[M+NH4]+ 372.20302 196.9
[M+K]+ 393.13236 191.6
[M+H-H2O]+ 337.16646 176.7
[M+HCOO]- 399.16740 203.9
[M+CH3COO]- 413.18305 215.4
[M+Na-2H]- 375.14387 187.0
[M]+ 354.16865 192.9
[M]- 354.16975 192.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe