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

literature stripe

Patent stripe

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