CID 469087

Schembl7247684

Structural Information

Molecular Formula
C10H13N3O6
SMILES
C1C2=CN(C(=O)N=C2NO1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C10H13N3O6/c14-2-5-6(15)7(16)9(19-5)13-1-4-3-18-12-8(4)11-10(13)17/h1,5-7,9,14-16H,2-3H2,(H,11,12,17)/t5-,6-,7-,9-/m1/s1
InChIKey
PASWXYSRYCHKKI-JXOAFFINSA-N
Compound name
5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dihydro-[1,2]oxazolo[3,4-d]pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

271.08044 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08772 156.9
[M+Na]+ 294.06966 165.6
[M-H]- 270.07316 157.7
[M+NH4]+ 289.11426 168.5
[M+K]+ 310.04360 163.9
[M+H-H2O]+ 254.07770 150.8
[M+HCOO]- 316.07864 168.9
[M+CH3COO]- 330.09429 167.2
[M+Na-2H]- 292.05511 157.6
[M]+ 271.07989 156.2
[M]- 271.08099 156.2
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