CID 495736

Nsc667474

Structural Information

Molecular Formula
C15H16N2O6
SMILES
C1[C@H]([C@@H](O[C@@H]1N2C=C(C(=O)NC2=O)OC3=CC=CC=C3)CO)O
InChI
InChI=1S/C15H16N2O6/c18-8-12-10(19)6-13(23-12)17-7-11(14(20)16-15(17)21)22-9-4-2-1-3-5-9/h1-5,7,10,12-13,18-19H,6,8H2,(H,16,20,21)/t10-,12+,13+/m1/s1
InChIKey
KVVHKGWRRCMZOE-WXHSDQCUSA-N
Compound name
1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenoxypyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.10083 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.10811 169.1
[M+Na]+ 343.09005 177.4
[M-H]- 319.09355 174.0
[M+NH4]+ 338.13465 178.9
[M+K]+ 359.06399 173.9
[M+H-H2O]+ 303.09809 160.5
[M+HCOO]- 365.09903 185.7
[M+CH3COO]- 379.11468 197.8
[M+Na-2H]- 341.07550 170.3
[M]+ 320.10028 169.2
[M]- 320.10138 169.2
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.