CID 4601487

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

Structural Information

Molecular Formula
C15H13ClN4O4
SMILES
CN1C2=C(C(=O)NC1=O)N3CC(OC3=N2)COC4=CC=C(C=C4)Cl
InChI
InChI=1S/C15H13ClN4O4/c1-19-12-11(13(21)18-14(19)22)20-6-10(24-15(20)17-12)7-23-9-4-2-8(16)3-5-9/h2-5,10H,6-7H2,1H3,(H,18,21,22)
InChIKey
YUKBQZBKWAMWGK-UHFFFAOYSA-N
Compound name
7-[(4-chlorophenoxy)methyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.06253 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.06981 175.4
[M+Na]+ 371.05175 191.2
[M+NH4]+ 366.09635 181.4
[M+K]+ 387.02569 188.8
[M-H]- 347.05525 177.6
[M+Na-2H]- 369.03720 179.3
[M]+ 348.06198 178.5
[M]- 348.06308 178.5
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.