CID 54683315

Schembl4321075

Structural Information

Molecular Formula
C22H16Cl2N2O4
SMILES
C1CN2C(=CC(=O)C(=C2C(=O)N1CC3=CC(=C(C=C3)Cl)Cl)O)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H16Cl2N2O4/c23-15-7-6-13(10-16(15)24)12-25-8-9-26-17(20(28)14-4-2-1-3-5-14)11-18(27)21(29)19(26)22(25)30/h1-7,10-11,29H,8-9,12H2
InChIKey
UUGZWDHBJISXJZ-UHFFFAOYSA-N
Compound name
6-benzoyl-2-[(3,4-dichlorophenyl)methyl]-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

442.0487 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.05598 198.4
[M+Na]+ 465.03792 208.7
[M-H]- 441.04142 204.6
[M+NH4]+ 460.08252 206.5
[M+K]+ 481.01186 200.9
[M+H-H2O]+ 425.04596 188.4
[M+HCOO]- 487.04690 204.4
[M+CH3COO]- 501.06255 206.9
[M+Na-2H]- 463.02337 198.2
[M]+ 442.04815 202.1
[M]- 442.04925 202.1
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