CID 54683344

Schembl4326204

Structural Information

Molecular Formula
C17H15ClFN3O4
SMILES
CNC(=O)C1=CN2CCN(C(=O)C2=C(C1=O)O)CC3=CC(=C(C=C3)F)Cl
InChI
InChI=1S/C17H15ClFN3O4/c1-20-16(25)10-8-21-4-5-22(17(26)13(21)15(24)14(10)23)7-9-2-3-12(19)11(18)6-9/h2-3,6,8,24H,4-5,7H2,1H3,(H,20,25)
InChIKey
SPFDJDAYRZMZIW-UHFFFAOYSA-N
Compound name
2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-N-methyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

379.07352 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.08080 183.7
[M+Na]+ 402.06274 194.2
[M-H]- 378.06624 186.8
[M+NH4]+ 397.10734 194.3
[M+K]+ 418.03668 187.8
[M+H-H2O]+ 362.07078 174.5
[M+HCOO]- 424.07172 195.3
[M+CH3COO]- 438.08737 219.0
[M+Na-2H]- 400.04819 184.5
[M]+ 379.07297 185.3
[M]- 379.07407 185.3
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