CID 1265899

5-methoxyuridine

Structural Information

Molecular Formula
C10H14N2O7
SMILES
COC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C10H14N2O7/c1-18-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)19-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,9-/m1/s1
InChIKey
ZXIATBNUWJBBGT-JXOAFFINSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

12752
Patents

274.0801 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.087376 155.6
[M+Na]+ 297.069318 165.0
[M-H]- 273.072824 156.4
[M+NH4]+ 292.113923 167.3
[M+K]+ 313.043258 162.8
[M+H-H2O]+ 257.077360 149.0
[M+HCOO]- 319.078301 171.1
[M+CH3COO]- 333.093951 188.3
[M+Na-2H]- 295.054766 156.3
[M]+ 274.07955142 156.6
[M]- 274.08064858 156.6
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

patents stripe