CID 54707924

Schembl4322106

Structural Information

Molecular Formula
C17H13ClFN3O4
SMILES
CC(=O)NC1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC(=C(C=C3)F)Cl
InChI
InChI=1S/C17H13ClFN3O4/c1-9(23)20-13-8-21-4-5-22(17(26)14(21)16(25)15(13)24)7-10-2-3-12(19)11(18)6-10/h2-6,8,25H,7H2,1H3,(H,20,23)
InChIKey
FMTWZAJYIJKHOU-UHFFFAOYSA-N
Compound name
N-[2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

377.05786 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.06514 182.1
[M+Na]+ 400.04708 194.5
[M-H]- 376.05058 185.9
[M+NH4]+ 395.09168 193.0
[M+K]+ 416.02102 187.7
[M+H-H2O]+ 360.05512 172.7
[M+HCOO]- 422.05606 196.5
[M+CH3COO]- 436.07171 218.3
[M+Na-2H]- 398.03253 184.7
[M]+ 377.05731 186.5
[M]- 377.05841 186.5
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.