CID 54683569

Schembl4322121

Structural Information

Molecular Formula
C18H15ClFN3O4
SMILES
C1=CC(=CC(=C1)Cl)CN2C=CN3C=C(C(=O)C(=C3C2=O)O)C(=O)NCCF
InChI
InChI=1S/C18H15ClFN3O4/c19-12-3-1-2-11(8-12)9-23-7-6-22-10-13(17(26)21-5-4-20)15(24)16(25)14(22)18(23)27/h1-3,6-8,10,25H,4-5,9H2,(H,21,26)
InChIKey
YOLKIQCQHKECOI-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-N-(2-fluoroethyl)-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

391.07352 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.08080 186.1
[M+Na]+ 414.06274 197.1
[M-H]- 390.06624 189.3
[M+NH4]+ 409.10734 196.0
[M+K]+ 430.03668 190.0
[M+H-H2O]+ 374.07078 176.2
[M+HCOO]- 436.07172 200.1
[M+CH3COO]- 450.08737 219.9
[M+Na-2H]- 412.04819 188.9
[M]+ 391.07297 190.3
[M]- 391.07407 190.3
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