CID 132580954

3-phenylethyl-2'-deoxyuridine

Structural Information

Molecular Formula
C17H20N2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)N(C2=O)CCC3=CC=CC=C3)CO)O
InChI
InChI=1S/C17H20N2O5/c20-11-14-13(21)10-16(24-14)19-9-7-15(22)18(17(19)23)8-6-12-4-2-1-3-5-12/h1-5,7,9,13-14,16,20-21H,6,8,10-11H2/t13-,14+,16+/m0/s1
InChIKey
LYLFFZWTYHJLCZ-SQWLQELKSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(2-phenylethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.1372 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14448 175.3
[M+Na]+ 355.12642 183.4
[M-H]- 331.12992 181.2
[M+NH4]+ 350.17102 185.5
[M+K]+ 371.10036 179.6
[M+H-H2O]+ 315.13446 166.3
[M+HCOO]- 377.13540 192.6
[M+CH3COO]- 391.15105 203.5
[M+Na-2H]- 353.11187 175.8
[M]+ 332.13665 176.4
[M]- 332.13775 176.4
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

No patent data available for this compound.