CID 11587707

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

Structural Information

Molecular Formula
C13H18N2O7
SMILES
C1COC(OC1)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C13H18N2O7/c16-6-9-8(17)4-10(22-9)15-5-7(11(18)14-13(15)19)12-20-2-1-3-21-12/h5,8-10,12,16-17H,1-4,6H2,(H,14,18,19)/t8-,9+,10+/m0/s1
InChIKey
MORBLZBNZZSSDL-IVZWLZJFSA-N
Compound name
5-(1,3-dioxan-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

314.1114 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.11868 169.6
[M+Na]+ 337.10062 175.9
[M-H]- 313.10412 174.8
[M+NH4]+ 332.14522 176.7
[M+K]+ 353.07456 175.5
[M+H-H2O]+ 297.10866 161.7
[M+HCOO]- 359.10960 180.7
[M+CH3COO]- 373.12525 196.7
[M+Na-2H]- 335.08607 170.0
[M]+ 314.11085 167.6
[M]- 314.11195 167.6
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.