CID 54692274

Schembl2890924

Structural Information

Molecular Formula
C15H14FN3O4
SMILES
CN1C(=O)C(=C2C(=O)N(CCN2C1=O)CC3=CC=C(C=C3)F)O
InChI
InChI=1S/C15H14FN3O4/c1-17-14(22)12(20)11-13(21)18(6-7-19(11)15(17)23)8-9-2-4-10(16)5-3-9/h2-5,20H,6-8H2,1H3
InChIKey
BDKZDZDKYLWCDA-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-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

319.09683 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.10411 172.2
[M+Na]+ 342.08605 184.0
[M-H]- 318.08955 174.3
[M+NH4]+ 337.13065 183.3
[M+K]+ 358.05999 178.2
[M+H-H2O]+ 302.09409 161.8
[M+HCOO]- 364.09503 187.4
[M+CH3COO]- 378.11068 206.9
[M+Na-2H]- 340.07150 174.6
[M]+ 319.09628 172.5
[M]- 319.09738 172.5
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.