CID 54707792

Schembl4319044

Structural Information

Molecular Formula
C18H16ClN3O4
SMILES
CNC(=O)CC1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C18H16ClN3O4/c1-20-14(23)8-12-10-21-5-6-22(9-11-3-2-4-13(19)7-11)18(26)15(21)17(25)16(12)24/h2-7,10,25H,8-9H2,1H3,(H,20,23)
InChIKey
ADBNEQBMCTUEAX-UHFFFAOYSA-N
Compound name
2-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

373.08295 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.09023 183.6
[M+Na]+ 396.07217 194.6
[M-H]- 372.07567 188.2
[M+NH4]+ 391.11677 194.4
[M+K]+ 412.04611 188.0
[M+H-H2O]+ 356.08021 174.7
[M+HCOO]- 418.08115 198.7
[M+CH3COO]- 432.09680 217.3
[M+Na-2H]- 394.05762 187.0
[M]+ 373.08240 188.8
[M]- 373.08350 188.8
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.