CID 54683408

Schembl4324005

Structural Information

Molecular Formula
C19H19Cl2N3O4
SMILES
CCN(C)C(=O)C1=CC(=O)C(=C2N1CCN(C2=O)CC3=CC(=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C19H19Cl2N3O4/c1-3-22(2)18(27)14-9-15(25)17(26)16-19(28)23(6-7-24(14)16)10-11-4-5-12(20)13(21)8-11/h4-5,8-9,26H,3,6-7,10H2,1-2H3
InChIKey
PIKDPCKPTZJSHC-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-N-ethyl-9-hydroxy-N-methyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

423.07526 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.08254 192.8
[M+Na]+ 446.06448 202.7
[M-H]- 422.06798 197.6
[M+NH4]+ 441.10908 202.9
[M+K]+ 462.03842 196.9
[M+H-H2O]+ 406.07252 184.8
[M+HCOO]- 468.07346 200.4
[M+CH3COO]- 482.08911 229.2
[M+Na-2H]- 444.04993 192.0
[M]+ 423.07471 198.6
[M]- 423.07581 198.6
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

No patent data available for this compound.