CID 54683966

Schembl4322879

Structural Information

Molecular Formula
C22H18Cl2N2O4
SMILES
C1CN2C(=CC(=O)C(=C2C(=O)N1CC3=CC(=C(C=C3)Cl)Cl)O)COC4=CC=CC=C4
InChI
InChI=1S/C22H18Cl2N2O4/c23-17-7-6-14(10-18(17)24)12-25-8-9-26-15(13-30-16-4-2-1-3-5-16)11-19(27)21(28)20(26)22(25)29/h1-7,10-11,28H,8-9,12-13H2
InChIKey
COTIGRITRWYIPI-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-6-(phenoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

444.06436 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.07164 200.6
[M+Na]+ 467.05358 210.9
[M-H]- 443.05708 206.6
[M+NH4]+ 462.09818 208.8
[M+K]+ 483.02752 203.1
[M+H-H2O]+ 427.06162 190.2
[M+HCOO]- 489.06256 207.3
[M+CH3COO]- 503.07821 209.0
[M+Na-2H]- 465.03903 201.3
[M]+ 444.06381 205.4
[M]- 444.06491 205.4
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.