CID 6477306

1-((2r,4s,5s)-5-hydroxymethyl-4-trifluoromethyl-tetrahydro-furan-2-yl)-5-methyl-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H13F3N2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)C(F)(F)F
InChI
InChI=1S/C11H13F3N2O4/c1-5-3-16(10(19)15-9(5)18)8-2-6(11(12,13)14)7(4-17)20-8/h3,6-8,17H,2,4H2,1H3,(H,15,18,19)/t6-,7+,8+/m0/s1
InChIKey
GXNABDNYFNDWIT-XLPZGREQSA-N
Compound name
1-[(2R,4S,5S)-5-(hydroxymethyl)-4-(trifluoromethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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 160.0
[M+Na]+ 317.07195 170.3
[M-H]- 293.07545 159.3
[M+NH4]+ 312.11655 172.4
[M+K]+ 333.04589 166.8
[M+H-H2O]+ 277.07999 151.1
[M+HCOO]- 339.08093 173.0
[M+CH3COO]- 353.09658 195.1
[M+Na-2H]- 315.05740 160.7
[M]+ 294.08218 156.3
[M]- 294.08328 156.3
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.