CID 54692304

Schembl2898773

Structural Information

Molecular Formula
C18H18FN3O4
SMILES
C1CC(C1)N2C(=O)C(=C3C(=O)N(CCN3C2=O)CC4=CC=C(C=C4)F)O
InChI
InChI=1S/C18H18FN3O4/c19-12-6-4-11(5-7-12)10-20-8-9-21-14(16(20)24)15(23)17(25)22(18(21)26)13-2-1-3-13/h4-7,13,23H,1-3,8-10H2
InChIKey
HYCTYMJHJHLDPJ-UHFFFAOYSA-N
Compound name
7-cyclobutyl-2-[(4-fluorophenyl)methyl]-9-hydroxy-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

359.12814 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.13542 182.9
[M+Na]+ 382.11736 191.2
[M-H]- 358.12086 186.7
[M+NH4]+ 377.16196 185.5
[M+K]+ 398.09130 188.5
[M+H-H2O]+ 342.12540 165.9
[M+HCOO]- 404.12634 195.1
[M+CH3COO]- 418.14199 216.6
[M+Na-2H]- 380.10281 182.9
[M]+ 359.12759 189.6
[M]- 359.12869 189.6
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

No patent data available for this compound.