CID 1485918

95095-71-9

Structural Information

Molecular Formula
C5H5F3N4O
SMILES
C1=C(N=C(N(C1=O)N)N)C(F)(F)F
InChI
InChI=1S/C5H5F3N4O/c6-5(7,8)2-1-3(13)12(10)4(9)11-2/h1H,10H2,(H2,9,11)
InChIKey
RXJGGWLLRAKHDL-UHFFFAOYSA-N
Compound name
2,3-diamino-6-(trifluoromethyl)pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1
Patents

194.04155 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04883 134.8
[M+Na]+ 217.03077 146.0
[M-H]- 193.03427 132.3
[M+NH4]+ 212.07537 151.1
[M+K]+ 233.00471 142.7
[M+H-H2O]+ 177.03881 125.6
[M+HCOO]- 239.03975 154.4
[M+CH3COO]- 253.05540 185.9
[M+Na-2H]- 215.01622 140.3
[M]+ 194.04100 128.5
[M]- 194.04210 128.5
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.