CID 47002705

6-amino-5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C5H4F3N3O2
SMILES
C1(=C(NC(=O)NC1=O)N)C(F)(F)F
InChI
InChI=1S/C5H4F3N3O2/c6-5(7,8)1-2(9)10-4(13)11-3(1)12/h(H4,9,10,11,12,13)
InChIKey
FKDVQJRUQNEAGC-UHFFFAOYSA-N
Compound name
6-amino-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.02556 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.032836 133.7
[M+Na]+ 218.014778 145.0
[M-H]- 194.018284 128.9
[M+NH4]+ 213.059383 149.0
[M+K]+ 233.988718 140.3
[M+H-H2O]+ 178.022820 125.3
[M+HCOO]- 240.023761 150.2
[M+CH3COO]- 254.039411 177.9
[M+Na-2H]- 216.000226 138.9
[M]+ 195.02501142 126.1
[M]- 195.02610858 126.1
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.