CID 495746

Nsc667484

Structural Information

Molecular Formula
C15H16N2O7
SMILES
C1=CC=C(C=C1)OC2=CN(C(=O)NC2=O)[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)O
InChI
InChI=1S/C15H16N2O7/c18-7-10-11(19)12(20)14(24-10)17-6-9(13(21)16-15(17)22)23-8-4-2-1-3-5-8/h1-6,10-12,14,18-20H,7H2,(H,16,21,22)/t10-,11-,12-,14-/m0/s1
InChIKey
JIDPXILNKWTMNY-MNXVOIDGSA-N
Compound name
1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenoxypyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.09576 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.10304 172.2
[M+Na]+ 359.08498 180.6
[M-H]- 335.08848 176.2
[M+NH4]+ 354.12958 180.8
[M+K]+ 375.05892 177.1
[M+H-H2O]+ 319.09302 163.9
[M+HCOO]- 381.09396 187.4
[M+CH3COO]- 395.10961 199.6
[M+Na-2H]- 357.07043 172.5
[M]+ 336.09521 172.4
[M]- 336.09631 172.4
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.