CID 473560

Uridine 5'-benzoate

Structural Information

Molecular Formula
C16H16N2O7
SMILES
C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O
InChI
InChI=1S/C16H16N2O7/c19-11-6-7-18(16(23)17-11)14-13(21)12(20)10(25-14)8-24-15(22)9-4-2-1-3-5-9/h1-7,10,12-14,20-21H,8H2,(H,17,19,23)/t10-,12-,13-,14-/m1/s1
InChIKey
SRLQBOIASWUQBN-FMKGYKFTSA-N
Compound name
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

348.09576 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.10304 174.9
[M+Na]+ 371.08498 182.4
[M-H]- 347.08848 179.8
[M+NH4]+ 366.12958 183.3
[M+K]+ 387.05892 179.6
[M+H-H2O]+ 331.09302 166.3
[M+HCOO]- 393.09396 190.5
[M+CH3COO]- 407.10961 202.9
[M+Na-2H]- 369.07043 174.8
[M]+ 348.09521 175.4
[M]- 348.09631 175.4
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

patents stripe