CID 15954382

Chembl350544

Structural Information

Molecular Formula
C10H11F3N2O5
SMILES
CC(=O)OCCOCN1C=C(C(=O)NC1=O)C(F)(F)F
InChI
InChI=1S/C10H11F3N2O5/c1-6(16)20-3-2-19-5-15-4-7(10(11,12)13)8(17)14-9(15)18/h4H,2-3,5H2,1H3,(H,14,17,18)
InChIKey
AQDYCUIQNJMMLP-UHFFFAOYSA-N
Compound name
2-[[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]methoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.062 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.06928 157.2
[M+Na]+ 319.05122 167.3
[M-H]- 295.05472 153.6
[M+NH4]+ 314.09582 169.5
[M+K]+ 335.02516 164.5
[M+H-H2O]+ 279.05926 147.6
[M+HCOO]- 341.06020 173.1
[M+CH3COO]- 355.07585 196.8
[M+Na-2H]- 317.03667 160.4
[M]+ 296.06145 158.0
[M]- 296.06255 158.0
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

No patent data available for this compound.