CID 54683610

Schembl4321955

Structural Information

Molecular Formula
C21H16Cl2N2O3
SMILES
C1CN2C(=CC(=O)C(=C2C(=O)N1CC3=CC(=C(C=C3)Cl)Cl)O)C4=CC=CC=C4
InChI
InChI=1S/C21H16Cl2N2O3/c22-15-7-6-13(10-16(15)23)12-24-8-9-25-17(14-4-2-1-3-5-14)11-18(26)20(27)19(25)21(24)28/h1-7,10-11,27H,8-9,12H2
InChIKey
MPJIWDZNDVJTCP-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-6-phenyl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

414.0538 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.06108 194.2
[M+Na]+ 437.04302 205.2
[M-H]- 413.04652 200.3
[M+NH4]+ 432.08762 203.7
[M+K]+ 453.01696 196.7
[M+H-H2O]+ 397.05106 184.1
[M+HCOO]- 459.05200 201.0
[M+CH3COO]- 473.06765 203.2
[M+Na-2H]- 435.02847 195.2
[M]+ 414.05325 197.3
[M]- 414.05435 197.3
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.