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]+ 257.113206 156.0
[M+Na]+ 279.095148 162.2
[M-H]- 255.098654 158.1
[M+NH4]+ 274.139753 170.0
[M+K]+ 295.069088 160.9
[M+H-H2O]+ 239.103190 150.4
[M+HCOO]- 301.104131 167.5
[M+CH3COO]- 315.119781 186.0
[M+Na-2H]- 277.080596 155.8
[M]+ 256.10538142 152.3
[M]- 256.10647858 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.