CID 54707916

Schembl4316089

Structural Information

Molecular Formula
C19H18ClN3O4
SMILES
CC(C)NC(=O)C1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H18ClN3O4/c1-11(2)21-18(26)14-10-22-6-7-23(9-12-4-3-5-13(20)8-12)19(27)15(22)17(25)16(14)24/h3-8,10-11,25H,9H2,1-2H3,(H,21,26)
InChIKey
KEBAARCMWLHGNE-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

387.09857 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.10585 187.2
[M+Na]+ 410.08779 197.5
[M-H]- 386.09129 191.8
[M+NH4]+ 405.13239 197.4
[M+K]+ 426.06173 191.3
[M+H-H2O]+ 370.09583 178.5
[M+HCOO]- 432.09677 201.1
[M+CH3COO]- 446.11242 221.2
[M+Na-2H]- 408.07324 189.1
[M]+ 387.09802 192.3
[M]- 387.09912 192.3
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.