CID 119051

5-methoxymethyl-2'-deoxyuridine

Structural Information

Molecular Formula
C11H16N2O6
SMILES
COCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C11H16N2O6/c1-18-5-6-3-13(11(17)12-10(6)16)9-2-7(15)8(4-14)19-9/h3,7-9,14-15H,2,4-5H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1
InChIKey
RSMISTTWWXJOOG-DJLDLDEBSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

49
Patents

272.10083 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10811 157.0
[M+Na]+ 295.09005 165.8
[M-H]- 271.09355 158.6
[M+NH4]+ 290.13465 169.3
[M+K]+ 311.06399 163.5
[M+H-H2O]+ 255.09809 149.9
[M+HCOO]- 317.09903 173.5
[M+CH3COO]- 331.11468 189.5
[M+Na-2H]- 293.07550 158.1
[M]+ 272.10028 158.2
[M]- 272.10138 158.2
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