CID 11638492

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

Structural Information

Molecular Formula
C14H22N2O7
SMILES
CCOC(C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)OCC
InChI
InChI=1S/C14H22N2O7/c1-3-21-13(22-4-2)8-6-16(14(20)15-12(8)19)11-5-9(18)10(7-17)23-11/h6,9-11,13,17-18H,3-5,7H2,1-2H3,(H,15,19,20)/t9-,10+,11+/m0/s1
InChIKey
WSTLYRLHBPTGCO-HBNTYKKESA-N
Compound name
5-(diethoxymethyl)-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

330.1427 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14998 172.3
[M+Na]+ 353.13192 179.2
[M-H]- 329.13542 173.5
[M+NH4]+ 348.17652 182.0
[M+K]+ 369.10586 177.6
[M+H-H2O]+ 313.13996 164.7
[M+HCOO]- 375.14090 187.0
[M+CH3COO]- 389.15655 201.8
[M+Na-2H]- 351.11737 171.1
[M]+ 330.14215 175.4
[M]- 330.14325 175.4
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.