CID 495737

Nsc667475

Structural Information

Molecular Formula
C16H18N2O6
SMILES
C1[C@H]([C@@H](O[C@@H]1N2C=C(C(=O)NC2=O)OCC3=CC=CC=C3)CO)O
InChI
InChI=1S/C16H18N2O6/c19-8-13-11(20)6-14(24-13)18-7-12(15(21)17-16(18)22)23-9-10-4-2-1-3-5-10/h1-5,7,11,13-14,19-20H,6,8-9H2,(H,17,21,22)/t11-,13+,14+/m1/s1
InChIKey
DTSODSYNNLANCF-XBFCOCLRSA-N
Compound name
1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenylmethoxypyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

334.1165 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.12378 173.5
[M+Na]+ 357.10572 181.3
[M-H]- 333.10922 178.2
[M+NH4]+ 352.15032 182.7
[M+K]+ 373.07966 177.6
[M+H-H2O]+ 317.11376 164.7
[M+HCOO]- 379.11470 189.7
[M+CH3COO]- 393.13035 200.8
[M+Na-2H]- 355.09117 174.2
[M]+ 334.11595 173.9
[M]- 334.11705 173.9
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

patents stripe