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

0
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 158.9
[M+Na]+ 307.06490 169.9
[M-H]- 283.06840 161.9
[M+NH4]+ 302.10950 170.6
[M+K]+ 323.03884 168.3
[M+H-H2O]+ 267.07294 152.4
[M+HCOO]- 329.07388 175.6
[M+CH3COO]- 343.08953 194.8
[M+Na-2H]- 305.05035 160.8
[M]+ 284.07513 161.6
[M]- 284.07623 161.6
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

patents stripe