CID 477548

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

Structural Information

Molecular Formula
C10H12N4O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(OC3=O)N)CO)O
InChI
InChI=1S/C10H12N4O5/c11-10-13-8-7(9(17)19-10)12-3-14(8)6-1-4(16)5(2-15)18-6/h3-6,15-16H,1-2H2,(H2,11,13)/t4-,5+,6+/m0/s1
InChIKey
QCYSYEMPACIOOP-KVQBGUIXSA-N
Compound name
5-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[4,5-d][1,3]oxazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

268.08078 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08806 155.3
[M+Na]+ 291.07000 166.2
[M-H]- 267.07350 159.2
[M+NH4]+ 286.11460 168.2
[M+K]+ 307.04394 164.7
[M+H-H2O]+ 251.07804 148.4
[M+HCOO]- 313.07898 173.4
[M+CH3COO]- 327.09463 167.5
[M+Na-2H]- 289.05545 158.1
[M]+ 268.08023 157.9
[M]- 268.08133 157.9
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.