CID 148264

5-hydroperoxymethyl-2'-deoxyuridine

Structural Information

Molecular Formula
C10H14N2O7
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)COO)CO)O
InChI
InChI=1S/C10H14N2O7/c13-3-7-6(14)1-8(19-7)12-2-5(4-18-17)9(15)11-10(12)16/h2,6-8,13-14,17H,1,3-4H2,(H,11,15,16)/t6-,7+,8+/m0/s1
InChIKey
STXZSCOOCRDNCN-XLPZGREQSA-N
Compound name
5-(hydroperoxymethyl)-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

4
References

4
Patents

274.0801 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.08738 158.4
[M+Na]+ 297.06932 167.4
[M+NH4]+ 292.11392 161.3
[M+K]+ 313.04326 168.1
[M-H]- 273.07282 157.0
[M+Na-2H]- 295.05477 158.8
[M]+ 274.07955 158.6
[M]- 274.08065 158.6
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