CID 54683526

Schembl4321875

Structural Information

Molecular Formula
C18H14ClN3O5
SMILES
CC(=O)C(=O)NC1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C18H14ClN3O5/c1-10(23)17(26)20-13-9-21-5-6-22(8-11-3-2-4-12(19)7-11)18(27)14(21)16(25)15(13)24/h2-7,9,25H,8H2,1H3,(H,20,26)
InChIKey
PWMCYIIOLYSJAG-UHFFFAOYSA-N
Compound name
N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

387.0622 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.06948 183.9
[M+Na]+ 410.05142 194.6
[M-H]- 386.05492 188.7
[M+NH4]+ 405.09602 193.8
[M+K]+ 426.02536 188.9
[M+H-H2O]+ 370.05946 175.2
[M+HCOO]- 432.06040 198.4
[M+CH3COO]- 446.07605 219.9
[M+Na-2H]- 408.03687 186.5
[M]+ 387.06165 189.3
[M]- 387.06275 189.3
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

patents stripe