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]+ 196.03284 133.7
[M+Na]+ 218.01478 145.0
[M-H]- 194.01828 128.9
[M+NH4]+ 213.05938 149.0
[M+K]+ 233.98872 140.3
[M+H-H2O]+ 178.02282 125.3
[M+HCOO]- 240.02376 150.2
[M+CH3COO]- 254.03941 177.9
[M+Na-2H]- 216.00023 138.9
[M]+ 195.02501 126.1
[M]- 195.02611 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.