CID 11067972

35898-29-4

Structural Information

Molecular Formula
C17H18N2O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)O
InChI
InChI=1S/C17H18N2O6/c1-10-8-19(17(23)18-15(10)21)14-7-12(20)13(25-14)9-24-16(22)11-5-3-2-4-6-11/h2-6,8,12-14,20H,7,9H2,1H3,(H,18,21,23)/t12-,13+,14+/m0/s1
InChIKey
NOEPYUJTOCSCJP-BFHYXJOUSA-N
Compound name
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

346.1165 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.12378 176.8
[M+Na]+ 369.10572 184.7
[M-H]- 345.10922 182.9
[M+NH4]+ 364.15032 186.2
[M+K]+ 385.07966 181.6
[M+H-H2O]+ 329.11376 168.0
[M+HCOO]- 391.11470 193.4
[M+CH3COO]- 405.13035 205.5
[M+Na-2H]- 367.09117 176.4
[M]+ 346.11595 178.0
[M]- 346.11705 178.0
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