CID 453112

2',3'-dideoxy-5-methoxymethyluridine

Structural Information

Molecular Formula
C11H16N2O5
SMILES
COCC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO
InChI
InChI=1S/C11H16N2O5/c1-17-6-7-4-13(11(16)12-10(7)15)9-3-2-8(5-14)18-9/h4,8-9,14H,2-3,5-6H2,1H3,(H,12,15,16)/t8-,9+/m0/s1
InChIKey
VMNCOFHYUJGQIE-DTWKUNHWSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(methoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

256.10593 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11321 153.8
[M+Na]+ 279.09515 162.5
[M-H]- 255.09865 156.4
[M+NH4]+ 274.13975 167.4
[M+K]+ 295.06909 160.3
[M+H-H2O]+ 239.10319 146.4
[M+HCOO]- 301.10413 171.8
[M+CH3COO]- 315.11978 188.0
[M+Na-2H]- 277.08060 156.0
[M]+ 256.10538 155.0
[M]- 256.10648 155.0
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.