CID 391255

Nsc690194

Structural Information

Molecular Formula
C11H13F3N2O5
SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(O2)(CO)C(F)(F)F)O
InChI
InChI=1S/C11H13F3N2O5/c1-5-3-16(9(20)15-8(5)19)7-2-6(18)10(4-17,21-7)11(12,13)14/h3,6-7,17-18H,2,4H2,1H3,(H,15,19,20)
InChIKey
SNABGHHAHPHUJK-UHFFFAOYSA-N
Compound name
1-[4-hydroxy-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

310.07767 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08495 161.2
[M+Na]+ 333.06689 171.8
[M-H]- 309.07039 159.4
[M+NH4]+ 328.11149 174.2
[M+K]+ 349.04083 168.5
[M+H-H2O]+ 293.07493 153.4
[M+HCOO]- 355.07587 172.9
[M+CH3COO]- 369.09152 194.7
[M+Na-2H]- 331.05234 163.3
[M]+ 310.07712 157.5
[M]- 310.07822 157.5
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.