CID 11514944

2,4(1h,3h)-pyrimidinedione, 1-(2-deoxy-b-d-erythro-pentofuranosyl)-5-(1,3-dioxolan-2-yl)-

Structural Information

Molecular Formula
C12H16N2O7
SMILES
C1COC(O1)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C12H16N2O7/c15-5-8-7(16)3-9(21-8)14-4-6(10(17)13-12(14)18)11-19-1-2-20-11/h4,7-9,11,15-16H,1-3,5H2,(H,13,17,18)/t7-,8+,9+/m0/s1
InChIKey
WIZAHAAPTPUJFC-DJLDLDEBSA-N
Compound name
5-(1,3-dioxolan-2-yl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.09576 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10304 163.0
[M+Na]+ 323.08498 170.4
[M-H]- 299.08848 169.0
[M+NH4]+ 318.12958 172.7
[M+K]+ 339.05892 170.3
[M+H-H2O]+ 283.09302 156.9
[M+HCOO]- 345.09396 176.7
[M+CH3COO]- 359.10961 193.2
[M+Na-2H]- 321.07043 162.6
[M]+ 300.09521 163.0
[M]- 300.09631 163.0
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.