CID 496032

Nsc676869

Structural Information

Molecular Formula
C17H16F2N2O6
SMILES
C1=CC(=CC=C1C(=O)CN2C(=O)C=CN(C2=O)[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)F)F
InChI
InChI=1S/C17H16F2N2O6/c18-10-3-1-9(2-4-10)11(23)7-21-13(24)5-6-20(17(21)26)16-14(19)15(25)12(8-22)27-16/h1-6,12,14-16,22,25H,7-8H2/t12-,14-,15-,16-/m0/s1
InChIKey
ASVJWYTWDFDNEV-TUUVXOQKSA-N
Compound name
1-[(2S,3S,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[2-(4-fluorophenyl)-2-oxoethyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.09766 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.10494 182.8
[M+Na]+ 405.08688 192.4
[M-H]- 381.09038 186.8
[M+NH4]+ 400.13148 191.0
[M+K]+ 421.06082 188.4
[M+H-H2O]+ 365.09492 172.4
[M+HCOO]- 427.09586 197.1
[M+CH3COO]- 441.11151 214.2
[M+Na-2H]- 403.07233 179.8
[M]+ 382.09711 182.8
[M]- 382.09821 182.8
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.