CID 9575006

(4-hydroxyimino-5-hydroxymethyltetrahydro-furan-2-yl)-trifluoromethyl-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H10F3N3O5
SMILES
C\1[C@@H](O[C@@H](/C1=N\O)CO)N2C=C(C(=O)NC2=O)C(F)(F)F
InChI
InChI=1S/C10H10F3N3O5/c11-10(12,13)4-2-16(9(19)14-8(4)18)7-1-5(15-20)6(3-17)21-7/h2,6-7,17,20H,1,3H2,(H,14,18,19)/b15-5-/t6-,7-/m1/s1
InChIKey
BEMYEWAIPUHBEU-NENCEXTESA-N
Compound name
1-[(2R,4Z,5S)-4-hydroxyimino-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.05725 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.06453 161.2
[M+Na]+ 332.04647 171.1
[M-H]- 308.04997 160.6
[M+NH4]+ 327.09107 172.4
[M+K]+ 348.02041 167.7
[M+H-H2O]+ 292.05451 151.8
[M+HCOO]- 354.05545 175.9
[M+CH3COO]- 368.07110 198.3
[M+Na-2H]- 330.03192 163.1
[M]+ 309.05670 157.0
[M]- 309.05780 157.0
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.