CID 54705379

Schembl4319199

Structural Information

Molecular Formula
C21H15ClN2O4
SMILES
C1=CC(=CC(=C1)Cl)CN2C=CN3C=C(C(=O)C(=C3C2=O)O)C4=CC=C(C=C4)O
InChI
InChI=1S/C21H15ClN2O4/c22-15-3-1-2-13(10-15)11-24-9-8-23-12-17(14-4-6-16(25)7-5-14)19(26)20(27)18(23)21(24)28/h1-10,12,25,27H,11H2
InChIKey
QVFFKOBQJQTYNC-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(4-hydroxyphenyl)pyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

394.07202 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.07930 190.9
[M+Na]+ 417.06124 203.0
[M-H]- 393.06474 197.5
[M+NH4]+ 412.10584 200.0
[M+K]+ 433.03518 194.8
[M+H-H2O]+ 377.06928 180.6
[M+HCOO]- 439.07022 204.2
[M+CH3COO]- 453.08587 200.8
[M+Na-2H]- 415.04669 194.3
[M]+ 394.07147 195.0
[M]- 394.07257 195.0
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.