CID 391264

Nsc690203

Structural Information

Molecular Formula
C11H13F3N2O4
SMILES
CC1=CN(C(=O)NC1=O)C2CCC(O2)(CO)C(F)(F)F
InChI
InChI=1S/C11H13F3N2O4/c1-6-4-16(9(19)15-8(6)18)7-2-3-10(5-17,20-7)11(12,13)14/h4,7,17H,2-3,5H2,1H3,(H,15,18,19)
InChIKey
QATUTYLKKZNIPQ-UHFFFAOYSA-N
Compound name
1-[5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

294.08273 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09001 158.1
[M+Na]+ 317.07195 168.5
[M-H]- 293.07545 157.3
[M+NH4]+ 312.11655 172.3
[M+K]+ 333.04589 165.3
[M+H-H2O]+ 277.07999 149.8
[M+HCOO]- 339.08093 171.2
[M+CH3COO]- 353.09658 193.2
[M+Na-2H]- 315.05740 161.1
[M]+ 294.08218 154.4
[M]- 294.08328 154.4
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.