CID 513056

Methyl 5-deoxy-2-o-(2-fluorobenzyl)-5-n-(uracil-1-yl)-.alpha.-d-xylofuranoside

Structural Information

Molecular Formula
C17H19FN2O6
SMILES
CO[C@@H]1[C@@H]([C@H]([C@H](O1)CN2C=CC(=O)NC2=O)O)OCC3=CC=CC=C3F
InChI
InChI=1S/C17H19FN2O6/c1-24-16-15(25-9-10-4-2-3-5-11(10)18)14(22)12(26-16)8-20-7-6-13(21)19-17(20)23/h2-7,12,14-16,22H,8-9H2,1H3,(H,19,21,23)/t12-,14+,15-,16+/m1/s1
InChIKey
OTQVEKXRVPJNTD-BVUBDWEXSA-N
Compound name
1-[[(2R,3S,4R,5S)-4-[(2-fluorophenyl)methoxy]-3-hydroxy-5-methoxyoxolan-2-yl]methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.1227 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.12998 180.8
[M+Na]+ 389.11192 189.5
[M-H]- 365.11542 185.6
[M+NH4]+ 384.15652 189.5
[M+K]+ 405.08586 185.9
[M+H-H2O]+ 349.11996 170.8
[M+HCOO]- 411.12090 197.0
[M+CH3COO]- 425.13655 209.8
[M+Na-2H]- 387.09737 180.1
[M]+ 366.12215 182.7
[M]- 366.12325 182.7
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.