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]+ 333.144476 175.3
[M+Na]+ 355.126418 183.4
[M-H]- 331.129924 181.2
[M+NH4]+ 350.171023 185.5
[M+K]+ 371.100358 179.6
[M+H-H2O]+ 315.134460 166.3
[M+HCOO]- 377.135401 192.6
[M+CH3COO]- 391.151051 203.5
[M+Na-2H]- 353.111866 175.8
[M]+ 332.13665142 176.4
[M]- 332.13774858 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.