CID 451414

Fleu

Structural Information

Molecular Formula
C11H15FN2O4
SMILES
CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)F
InChI
InChI=1S/C11H15FN2O4/c1-2-6-4-14(11(17)13-10(6)16)9-3-7(12)8(5-15)18-9/h4,7-9,15H,2-3,5H2,1H3,(H,13,16,17)/t7-,8+,9+/m0/s1
InChIKey
SSFQGWVTTOGGKN-DJLDLDEBSA-N
Compound name
5-ethyl-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

44
Patents

258.1016 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10888 154.2
[M+Na]+ 281.09082 164.0
[M-H]- 257.09432 155.8
[M+NH4]+ 276.13542 168.0
[M+K]+ 297.06476 160.8
[M+H-H2O]+ 241.09886 146.3
[M+HCOO]- 303.09980 170.9
[M+CH3COO]- 317.11545 189.7
[M+Na-2H]- 279.07627 154.9
[M]+ 258.10105 153.3
[M]- 258.10215 153.3
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