CID 2830447

9-(4-ethoxyphenyl)-7-hydroxy-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C17H19N5O4
SMILES
CCOC1=CC=C(C=C1)N2CC(CN3C2=NC4=C3C(=O)NC(=O)N4C)O
InChI
InChI=1S/C17H19N5O4/c1-3-26-12-6-4-10(5-7-12)21-8-11(23)9-22-13-14(18-16(21)22)20(2)17(25)19-15(13)24/h4-7,11,23H,3,8-9H2,1-2H3,(H,19,24,25)
InChIKey
VRGUJCUVYYRDDX-UHFFFAOYSA-N
Compound name
9-(4-ethoxyphenyl)-7-hydroxy-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

357.1437 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.15098 185.8
[M+Na]+ 380.13292 200.5
[M+NH4]+ 375.17752 190.3
[M+K]+ 396.10686 196.8
[M-H]- 356.13642 186.1
[M+Na-2H]- 378.11837 189.1
[M]+ 357.14315 187.8
[M]- 357.14425 187.8
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.