CID 656257

1-me-7-((2-me-phenoxy)me)-6,7-dihydro(1,3)oxazolo(2,3-f)purine-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C16H16N4O4
SMILES
CC1=CC=CC=C1OCC2CN3C4=C(N=C3O2)N(C(=O)NC4=O)C
InChI
InChI=1S/C16H16N4O4/c1-9-5-3-4-6-11(9)23-8-10-7-20-12-13(17-16(20)24-10)19(2)15(22)18-14(12)21/h3-6,10H,7-8H2,1-2H3,(H,18,21,22)
InChIKey
XNUJUQWVGYUOKV-UHFFFAOYSA-N
Compound name
4-methyl-7-[(2-methylphenoxy)methyl]-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

328.11716 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12444 174.7
[M+Na]+ 351.10638 189.4
[M+NH4]+ 346.15098 180.3
[M+K]+ 367.08032 187.8
[M-H]- 327.10988 176.8
[M+Na-2H]- 349.09183 178.2
[M]+ 328.11661 177.3
[M]- 328.11771 177.3
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.