CID 135404978

Sildenafil metabolite (uk-331,849) (m2)

Structural Information

Molecular Formula
C19H26N6O4S
SMILES
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)NCCN)OCC)C
InChI
InChI=1S/C19H26N6O4S/c1-4-6-14-16-17(25(3)24-14)19(26)23-18(22-16)13-11-12(7-8-15(13)29-5-2)30(27,28)21-10-9-20/h7-8,11,21H,4-6,9-10,20H2,1-3H3,(H,22,23,26)
InChIKey
REQLDLBZEIDOHX-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

434.1736 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.180876 204.4
[M+Na]+ 457.162818 214.4
[M-H]- 433.166324 206.7
[M+NH4]+ 452.207423 211.2
[M+K]+ 473.136758 207.3
[M+H-H2O]+ 417.170860 195.5
[M+HCOO]- 479.171801 218.1
[M+CH3COO]- 493.187451 230.2
[M+Na-2H]- 455.148266 206.0
[M]+ 434.17305142 211.4
[M]- 434.17414858 211.4
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

No patent data available for this compound.