CID 54683558

2h-pyrido[1,2-a]pyrazine-7-carboxamide, 2-[(3-chlorophenyl)methyl]-1,8-dihydro-9-hydroxy-1,8-dioxo-n-(2,2,2-trifluoroethyl)-

Structural Information

Molecular Formula
C18H13ClF3N3O4
SMILES
C1=CC(=CC(=C1)Cl)CN2C=CN3C=C(C(=O)C(=C3C2=O)O)C(=O)NCC(F)(F)F
InChI
InChI=1S/C18H13ClF3N3O4/c19-11-3-1-2-10(6-11)7-25-5-4-24-8-12(16(28)23-9-18(20,21)22)14(26)15(27)13(24)17(25)29/h1-6,8,27H,7,9H2,(H,23,28)
InChIKey
XPCUDXPTLQDIFB-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(2,2,2-trifluoroethyl)pyrido[1,2-a]pyrazine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

427.05466 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.06194 192.7
[M+Na]+ 450.04388 204.3
[M-H]- 426.04738 193.6
[M+NH4]+ 445.08848 201.2
[M+K]+ 466.01782 196.9
[M+H-H2O]+ 410.05192 181.5
[M+HCOO]- 472.05286 203.0
[M+CH3COO]- 486.06851 225.0
[M+Na-2H]- 448.02933 195.4
[M]+ 427.05411 194.3
[M]- 427.05521 194.3
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