CID 54705326

Schembl14129664

Structural Information

Molecular Formula
C19H18ClN3O5
SMILES
CC(CNC(=O)C1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC(=CC=C3)Cl)O
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/h2-7,10-11,24,26H,8-9H2,1H3,(H,21,27)
InChIKey
GHFYXUQVWRDENI-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-N-(2-hydroxypropyl)-1,8-dioxopyrido[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 189.4
[M+Na]+ 426.08272 198.9
[M-H]- 402.08622 192.8
[M+NH4]+ 421.12732 198.1
[M+K]+ 442.05666 193.0
[M+H-H2O]+ 386.09076 180.9
[M+HCOO]- 448.09170 202.0
[M+CH3COO]- 462.10735 221.4
[M+Na-2H]- 424.06817 191.2
[M]+ 403.09295 194.2
[M]- 403.09405 194.2
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

No patent data available for this compound.