CID 54683367

Schembl4326547

Structural Information

Molecular Formula
C19H18Cl2N2O4
SMILES
CC(C)C(=O)C1=CN2CCN(C(=O)C2=C(C1=O)O)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H18Cl2N2O4/c1-10(2)16(24)12-9-22-5-6-23(19(27)15(22)18(26)17(12)25)8-11-3-4-13(20)14(21)7-11/h3-4,7,9-10,26H,5-6,8H2,1-2H3
InChIKey
JIVRGMWVLLOXSJ-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-7-(2-methylpropanoyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

408.06436 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.07164 187.3
[M+Na]+ 431.05358 197.6
[M-H]- 407.05708 190.8
[M+NH4]+ 426.09818 197.6
[M+K]+ 447.02752 191.0
[M+H-H2O]+ 391.06162 179.8
[M+HCOO]- 453.06256 192.4
[M+CH3COO]- 467.07821 222.5
[M+Na-2H]- 429.03903 185.6
[M]+ 408.06381 192.0
[M]- 408.06491 192.0
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