CID 54683511

Schembl4153042

Structural Information

Molecular Formula
C15H13FN2O3
SMILES
C1CN(C(=O)C2=C(C(=O)C=CN21)O)CC3=CC=C(C=C3)F
InChI
InChI=1S/C15H13FN2O3/c16-11-3-1-10(2-4-11)9-18-8-7-17-6-5-12(19)14(20)13(17)15(18)21/h1-6,20H,7-9H2
InChIKey
QOEHICMIIZKYOR-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

288.09103 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09831 163.8
[M+Na]+ 311.08025 173.8
[M-H]- 287.08375 166.5
[M+NH4]+ 306.12485 177.2
[M+K]+ 327.05419 168.1
[M+H-H2O]+ 271.08829 153.9
[M+HCOO]- 333.08923 180.2
[M+CH3COO]- 347.10488 199.7
[M+Na-2H]- 309.06570 167.7
[M]+ 288.09048 162.0
[M]- 288.09158 162.0
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