CID 54705314

Schembl14129892

Structural Information

Molecular Formula
C19H18ClN3O5
SMILES
CC(=O)CNC(=O)C1=CN2CCN(C(=O)C2=C(C1=O)O)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H18ClN3O5/c1-11(24)8-21-18(27)14-10-22-5-6-23(9-12-3-2-4-13(20)7-12)19(28)15(22)17(26)16(14)25/h2-4,7,10,26H,5-6,8-9H2,1H3,(H,21,27)
InChIKey
UPNSWEWLRILKHO-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(2-oxopropyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

403.0935 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.10078 189.6
[M+Na]+ 426.08272 197.9
[M-H]- 402.08622 193.5
[M+NH4]+ 421.12732 198.7
[M+K]+ 442.05666 192.4
[M+H-H2O]+ 386.09076 180.9
[M+HCOO]- 448.09170 201.0
[M+CH3COO]- 462.10735 223.5
[M+Na-2H]- 424.06817 190.0
[M]+ 403.09295 192.6
[M]- 403.09405 192.6
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.