CID 54705448

Schembl4320213

Structural Information

Molecular Formula
C15H12ClFN2O3
SMILES
C1CN(C(=O)C2=C(C(=O)C=CN21)O)CC3=CC(=C(C=C3)Cl)F
InChI
InChI=1S/C15H12ClFN2O3/c16-10-2-1-9(7-11(10)17)8-19-6-5-18-4-3-12(20)14(21)13(18)15(19)22/h1-4,7,21H,5-6,8H2
InChIKey
QYZFUZFCJKJGLA-UHFFFAOYSA-N
Compound name
2-[(4-chloro-3-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

12
Patents

322.05206 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.05934 169.1
[M+Na]+ 345.04128 180.7
[M-H]- 321.04478 171.9
[M+NH4]+ 340.08588 182.3
[M+K]+ 361.01522 173.7
[M+H-H2O]+ 305.04932 160.0
[M+HCOO]- 367.05026 180.9
[M+CH3COO]- 381.06591 204.6
[M+Na-2H]- 343.02673 171.9
[M]+ 322.05151 169.9
[M]- 322.05261 169.9
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

patents stripe