CID 54705342

Schembl4323491

Structural Information

Molecular Formula
C20H22Cl2N2O4
SMILES
CC(C)COCC1=CC(=O)C(=C2N1CCN(C2=O)CC3=CC(=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C20H22Cl2N2O4/c1-12(2)10-28-11-14-8-17(25)19(26)18-20(27)23(5-6-24(14)18)9-13-3-4-15(21)16(22)7-13/h3-4,7-8,12,26H,5-6,9-11H2,1-2H3
InChIKey
FFTFGOKFOXLXAI-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-6-(2-methylpropoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

424.09567 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.10295 194.4
[M+Na]+ 447.08489 204.2
[M-H]- 423.08839 197.5
[M+NH4]+ 442.12949 204.1
[M+K]+ 463.05883 197.4
[M+H-H2O]+ 407.09293 186.2
[M+HCOO]- 469.09387 199.8
[M+CH3COO]- 483.10952 225.0
[M+Na-2H]- 445.07034 193.1
[M]+ 424.09512 200.5
[M]- 424.09622 200.5
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