CID 54705284

Schembl4328258

Structural Information

Molecular Formula
C16H12Cl2N2O5
SMILES
C1C(N2C=CC(=O)C(=C2C(=O)N1CC3=CC(=C(C=C3)Cl)Cl)O)C(=O)O
InChI
InChI=1S/C16H12Cl2N2O5/c17-9-2-1-8(5-10(9)18)6-19-7-11(16(24)25)20-4-3-12(21)14(22)13(20)15(19)23/h1-5,11,22H,6-7H2,(H,24,25)
InChIKey
HTRKSAXKHQKMTR-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

382.01233 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.01961 177.6
[M+Na]+ 405.00155 188.9
[M-H]- 381.00505 180.3
[M+NH4]+ 400.04615 188.2
[M+K]+ 420.97549 182.4
[M+H-H2O]+ 365.00959 170.7
[M+HCOO]- 427.01053 183.4
[M+CH3COO]- 441.02618 213.1
[M+Na-2H]- 402.98700 178.3
[M]+ 382.01178 181.5
[M]- 382.01288 181.5
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