CID 54685075

Schembl2898603

Structural Information

Molecular Formula
C23H20FN5O4
SMILES
C1CN2C(=C(C(=O)N(C2=O)CCC3=CN4C=CC=CC4=N3)O)C(=O)N1CC5=CC=C(C=C5)F
InChI
InChI=1S/C23H20FN5O4/c24-16-6-4-15(5-7-16)13-27-11-12-28-19(21(27)31)20(30)22(32)29(23(28)33)10-8-17-14-26-9-2-1-3-18(26)25-17/h1-7,9,14,30H,8,10-13H2
InChIKey
PGPIUQXVQFANMI-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(2-imidazo[1,2-a]pyridin-2-ylethyl)-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

449.14993 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.15721 210.7
[M+Na]+ 472.13915 222.3
[M-H]- 448.14265 214.5
[M+NH4]+ 467.18375 215.6
[M+K]+ 488.11309 213.2
[M+H-H2O]+ 432.14719 197.0
[M+HCOO]- 494.14813 222.9
[M+CH3COO]- 508.16378 218.0
[M+Na-2H]- 470.12460 210.7
[M]+ 449.14938 212.9
[M]- 449.15048 212.9
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.