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

43
Patents

346.1165 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.123776 176.8
[M+Na]+ 369.105718 184.7
[M-H]- 345.109224 182.9
[M+NH4]+ 364.150323 186.2
[M+K]+ 385.079658 181.6
[M+H-H2O]+ 329.113760 168.0
[M+HCOO]- 391.114701 193.4
[M+CH3COO]- 405.130351 205.5
[M+Na-2H]- 367.091166 176.4
[M]+ 346.11595142 178.0
[M]- 346.11704858 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