CID 54683455

Schembl4328526

Structural Information

Molecular Formula
C17H14Cl2N2O5
SMILES
COC(=O)C1=CC(=O)C(=C2N1CCN(C2=O)CC3=CC(=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C17H14Cl2N2O5/c1-26-17(25)12-7-13(22)15(23)14-16(24)20(4-5-21(12)14)8-9-2-3-10(18)11(19)6-9/h2-3,6-7,23H,4-5,8H2,1H3
InChIKey
AAQZCFYURYIZKU-UHFFFAOYSA-N
Compound name
methyl 2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

396.02798 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.03526 182.2
[M+Na]+ 419.01720 193.5
[M-H]- 395.02070 186.0
[M+NH4]+ 414.06180 193.0
[M+K]+ 434.99114 187.6
[M+H-H2O]+ 379.02524 174.7
[M+HCOO]- 441.02618 189.1
[M+CH3COO]- 455.04183 217.4
[M+Na-2H]- 417.00265 182.7
[M]+ 396.02743 188.1
[M]- 396.02853 188.1
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