CID 73319

5-amino-3-[(2r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[4,5-d][1,3]oxazin-7-one

Structural Information

Molecular Formula
C10H12N4O6
SMILES
C1=NC2=C(N1[C@H]3C(C([C@H](O3)CO)O)O)N=C(OC2=O)N
InChI
InChI=1S/C10H12N4O6/c11-10-13-7-4(9(18)20-10)12-2-14(7)8-6(17)5(16)3(1-15)19-8/h2-3,5-6,8,15-17H,1H2,(H2,11,13)/t3-,5?,6?,8-/m1/s1
InChIKey
PWVUOVPUCZNICU-MMRIIKACSA-N
Compound name
5-amino-3-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[4,5-d][1,3]oxazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

26
References

2
Patents

284.07568 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08296 160.5
[M+Na]+ 307.06490 170.4
[M+NH4]+ 302.10950 164.1
[M+K]+ 323.03884 173.5
[M-H]- 283.06840 161.8
[M+Na-2H]- 305.05035 160.6
[M]+ 284.07513 161.7
[M]- 284.07623 161.7
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

patents stripe