CID 54683606

Schembl14129720

Structural Information

Molecular Formula
C21H14ClFN2O3
SMILES
C1=CC=C(C(=C1)C2=CN3C=CN(C(=O)C3=C(C2=O)O)CC4=CC(=CC=C4)Cl)F
InChI
InChI=1S/C21H14ClFN2O3/c22-14-5-3-4-13(10-14)11-25-9-8-24-12-16(15-6-1-2-7-17(15)23)19(26)20(27)18(24)21(25)28/h1-10,12,27H,11H2
InChIKey
NECGYIXUBLEBLG-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-7-(2-fluorophenyl)-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

396.0677 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.07498 191.4
[M+Na]+ 419.05692 204.2
[M-H]- 395.06042 197.8
[M+NH4]+ 414.10152 201.1
[M+K]+ 435.03086 195.4
[M+H-H2O]+ 379.06496 179.8
[M+HCOO]- 441.06590 204.9
[M+CH3COO]- 455.08155 201.5
[M+Na-2H]- 417.04237 194.3
[M]+ 396.06715 194.8
[M]- 396.06825 194.8
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.