CID 54707795

Schembl14129912

Structural Information

Molecular Formula
C20H15Cl2N3O3
SMILES
C1CN(C(=O)C2=C(C(=O)C(=CN21)C3=CC=CC=N3)O)CC4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C20H15Cl2N3O3/c21-14-5-4-12(9-15(14)22)10-25-8-7-24-11-13(16-3-1-2-6-23-16)18(26)19(27)17(24)20(25)28/h1-6,9,11,27H,7-8,10H2
InChIKey
PKDLAPMFWSCDSY-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

415.04904 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.05632 194.2
[M+Na]+ 438.03826 205.5
[M-H]- 414.04176 199.0
[M+NH4]+ 433.08286 202.1
[M+K]+ 454.01220 196.9
[M+H-H2O]+ 398.04630 183.2
[M+HCOO]- 460.04724 199.8
[M+CH3COO]- 474.06289 202.7
[M+Na-2H]- 436.02371 195.6
[M]+ 415.04849 197.2
[M]- 415.04959 197.2
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

patents stripe