CID 54683557

Schembl4328185

Structural Information

Molecular Formula
C19H18ClN3O5
SMILES
COCCNC(=O)C1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H18ClN3O5/c1-28-8-5-21-18(26)14-11-22-6-7-23(10-12-3-2-4-13(20)9-12)19(27)15(22)17(25)16(14)24/h2-4,6-7,9,11,25H,5,8,10H2,1H3,(H,21,26)
InChIKey
YKGUKUKIYZQUJM-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-N-(2-methoxyethyl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

403.0935 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.10078 190.2
[M+Na]+ 426.08272 200.4
[M-H]- 402.08622 194.6
[M+NH4]+ 421.12732 199.5
[M+K]+ 442.05666 194.5
[M+H-H2O]+ 386.09076 180.8
[M+HCOO]- 448.09170 205.1
[M+CH3COO]- 462.10735 222.5
[M+Na-2H]- 424.06817 193.3
[M]+ 403.09295 197.1
[M]- 403.09405 197.1
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.