CID 453115

5-benzyloxymethyl-2',3'-dideoxyuridine

Structural Information

Molecular Formula
C17H20N2O5
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=C(C(=O)NC2=O)COCC3=CC=CC=C3
InChI
InChI=1S/C17H20N2O5/c20-9-14-6-7-15(24-14)19-8-13(16(21)18-17(19)22)11-23-10-12-4-2-1-3-5-12/h1-5,8,14-15,20H,6-7,9-11H2,(H,18,21,22)/t14-,15+/m0/s1
InChIKey
OIWQSXGQKIYOSD-LSDHHAIUSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(phenylmethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1372 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14448 174.8
[M+Na]+ 355.12642 182.0
[M-H]- 331.12992 180.2
[M+NH4]+ 350.17102 184.6
[M+K]+ 371.10036 178.1
[M+H-H2O]+ 315.13446 165.5
[M+HCOO]- 377.13540 192.1
[M+CH3COO]- 391.15105 202.2
[M+Na-2H]- 353.11187 176.0
[M]+ 332.13665 175.5
[M]- 332.13775 175.5
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.