CID 54692298

2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(2,2,2-trifluoroethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione

Structural Information

Molecular Formula
C16H13F4N3O4
SMILES
C1CN2C(=C(C(=O)N(C2=O)CC(F)(F)F)O)C(=O)N1CC3=CC=C(C=C3)F
InChI
InChI=1S/C16H13F4N3O4/c17-10-3-1-9(2-4-10)7-21-5-6-22-11(13(21)25)12(24)14(26)23(15(22)27)8-16(18,19)20/h1-4,24H,5-8H2
InChIKey
VLXIGCZASCHZNK-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(2,2,2-trifluoroethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

387.08423 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.09151 188.0
[M+Na]+ 410.07345 199.8
[M-H]- 386.07695 186.0
[M+NH4]+ 405.11805 196.1
[M+K]+ 426.04739 192.9
[M+H-H2O]+ 370.08149 175.0
[M+HCOO]- 432.08243 197.8
[M+CH3COO]- 446.09808 217.7
[M+Na-2H]- 408.05890 188.9
[M]+ 387.08368 184.6
[M]- 387.08478 184.6
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

patents stripe