CID 54683520

Schembl4324081

Structural Information

Molecular Formula
C20H20Cl2N2O4
SMILES
CC(C)(C)C(=O)C1=CC(=O)C(=C2N1CCN(C2=O)CC3=CC(=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C20H20Cl2N2O4/c1-20(2,3)18(27)14-9-15(25)17(26)16-19(28)23(6-7-24(14)16)10-11-4-5-12(21)13(22)8-11/h4-5,8-9,26H,6-7,10H2,1-3H3
InChIKey
RFYQGNWZTSDOKZ-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-6-(2,2-dimethylpropanoyl)-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

422.08002 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.08730 194.3
[M+Na]+ 445.06924 204.8
[M-H]- 421.07274 198.0
[M+NH4]+ 440.11384 204.3
[M+K]+ 461.04318 198.2
[M+H-H2O]+ 405.07728 187.0
[M+HCOO]- 467.07822 198.3
[M+CH3COO]- 481.09387 224.2
[M+Na-2H]- 443.05469 194.1
[M]+ 422.07947 199.3
[M]- 422.08057 199.3
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