CID 514821

97975-01-4

Structural Information

Molecular Formula
C11H16N2O5
SMILES
C1COC2C1=CN(C(=O)N2)[C@@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C11H16N2O5/c14-5-8-7(15)3-9(18-8)13-4-6-1-2-17-10(6)12-11(13)16/h4,7-10,14-15H,1-3,5H2,(H,12,16)/t7-,8+,9-,10?/m0/s1
InChIKey
XFWKKGQIQWPSIG-GFMAATOTSA-N
Compound name
3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,5,6,7a-tetrahydrofuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.10593 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11321 156.0
[M+Na]+ 279.09515 162.2
[M-H]- 255.09865 158.1
[M+NH4]+ 274.13975 170.0
[M+K]+ 295.06909 160.9
[M+H-H2O]+ 239.10319 150.4
[M+HCOO]- 301.10413 167.5
[M+CH3COO]- 315.11978 186.0
[M+Na-2H]- 277.08060 155.8
[M]+ 256.10538 152.3
[M]- 256.10648 152.3
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

No patent data available for this compound.