CID 54683609

Schembl14129862

Structural Information

Molecular Formula
C22H15ClN2O4
SMILES
C1=CC=C(C=C1)C(=O)C2=CN3C=CN(C(=O)C3=C(C2=O)O)CC4=CC(=CC=C4)Cl
InChI
InChI=1S/C22H15ClN2O4/c23-16-8-4-5-14(11-16)12-25-10-9-24-13-17(19(26)15-6-2-1-3-7-15)20(27)21(28)18(24)22(25)29/h1-11,13,28H,12H2
InChIKey
VXDBDZIWEGTPNS-UHFFFAOYSA-N
Compound name
7-benzoyl-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

406.07202 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.07930 193.1
[M+Na]+ 429.06124 204.1
[M-H]- 405.06474 200.5
[M+NH4]+ 424.10584 201.9
[M+K]+ 445.03518 196.4
[M+H-H2O]+ 389.06928 182.2
[M+HCOO]- 451.07022 206.7
[M+CH3COO]- 465.08587 202.8
[M+Na-2H]- 427.04669 196.0
[M]+ 406.07147 197.5
[M]- 406.07257 197.5
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

No patent data available for this compound.