CID 54683323

Schembl14129800

Structural Information

Molecular Formula
C15H10ClFN2O3
SMILES
C1=CC(=C(C=C1CN2C=CN3C=CC(=O)C(=C3C2=O)O)Cl)F
InChI
InChI=1S/C15H10ClFN2O3/c16-10-7-9(1-2-11(10)17)8-19-6-5-18-4-3-12(20)14(21)13(18)15(19)22/h1-7,21H,8H2
InChIKey
JTIZZHBXZBMKRL-UHFFFAOYSA-N
Compound name
2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

320.0364 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.04368 166.9
[M+Na]+ 343.02562 180.6
[M-H]- 319.02912 170.6
[M+NH4]+ 338.07022 180.4
[M+K]+ 358.99956 173.2
[M+H-H2O]+ 303.03366 157.8
[M+HCOO]- 365.03460 181.6
[M+CH3COO]- 379.05025 178.8
[M+Na-2H]- 341.01107 171.7
[M]+ 320.03585 170.7
[M]- 320.03695 170.7
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