CID 4308146

476481-74-0

Structural Information

Molecular Formula
C20H20N8O8
SMILES
CN1C2=C(C(=O)NC1=O)N(C(=N2)N=NC3=C(NC(=O)NC3=O)O)CC(COC4=CC=C(C=C4)OC)O
InChI
InChI=1S/C20H20N8O8/c1-27-14-13(17(32)24-20(27)34)28(7-9(29)8-36-11-5-3-10(35-2)4-6-11)18(21-14)26-25-12-15(30)22-19(33)23-16(12)31/h3-6,9,29H,7-8H2,1-2H3,(H,24,32,34)(H3,22,23,30,31,33)
InChIKey
GVAIIXIEGIFPRK-UHFFFAOYSA-N
Compound name
8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.1404 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.14768 213.7
[M+Na]+ 523.12962 225.4
[M+NH4]+ 518.17422 212.3
[M+K]+ 539.10356 225.9
[M-H]- 499.13312 213.0
[M+Na-2H]- 521.11507 216.5
[M]+ 500.13985 214.3
[M]- 500.14095 214.3
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.