CID 453113

2',3'-dideoxy-5-(1-methylpropoxymethyl)uridine

Structural Information

Molecular Formula
C14H22N2O5
SMILES
CCC(C)OCC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO
InChI
InChI=1S/C14H22N2O5/c1-3-9(2)20-8-10-6-16(14(19)15-13(10)18)12-5-4-11(7-17)21-12/h6,9,11-12,17H,3-5,7-8H2,1-2H3,(H,15,18,19)/t9?,11-,12+/m0/s1
InChIKey
HSLJLYYORDPYAV-CLGJWYQZSA-N
Compound name
5-(butan-2-yloxymethyl)-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.15286 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16014 167.5
[M+Na]+ 321.14208 174.6
[M-H]- 297.14558 169.8
[M+NH4]+ 316.18668 179.3
[M+K]+ 337.11602 172.3
[M+H-H2O]+ 281.15012 159.8
[M+HCOO]- 343.15106 183.5
[M+CH3COO]- 357.16671 197.9
[M+Na-2H]- 319.12753 167.0
[M]+ 298.15231 169.2
[M]- 298.15341 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.