CID 54683313

Schembl14129714

Structural Information

Molecular Formula
C23H15ClN2O4
SMILES
C1=CC=C2C(=C1)C=C(O2)C3=CN4C=CN(C(=O)C4=C(C3=O)O)CC5=CC(=CC=C5)Cl
InChI
InChI=1S/C23H15ClN2O4/c24-16-6-3-4-14(10-16)12-26-9-8-25-13-17(21(27)22(28)20(25)23(26)29)19-11-15-5-1-2-7-18(15)30-19/h1-11,13,28H,12H2
InChIKey
XQZOIAPHLXIGSN-UHFFFAOYSA-N
Compound name
7-(1-benzofuran-2-yl)-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

418.07202 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.07930 198.6
[M+Na]+ 441.06124 212.5
[M-H]- 417.06474 208.7
[M+NH4]+ 436.10584 208.9
[M+K]+ 457.03518 205.3
[M+H-H2O]+ 401.06928 188.4
[M+HCOO]- 463.07022 213.5
[M+CH3COO]- 477.08587 209.6
[M+Na-2H]- 439.04669 201.9
[M]+ 418.07147 206.6
[M]- 418.07257 206.6
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.