PubChemLite - 2-[(3-chlorophenyl)methyl]-n-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (C23H19ClFN3O4)

Structural Information

Molecular Formula

SMILES

C1CN(C(=O)C2=C(C(=O)C(=CN21)C(=O)NCC3=CC=C(C=C3)F)O)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H19ClFN3O4/c24-16-3-1-2-15(10-16)12-28-9-8-27-13-18(20(29)21(30)19(27)23(28)32)22(31)26-11-14-4-6-17(25)7-5-14/h1-7,10,13,30H,8-9,11-12H2,(H,26,31)

InChIKey

CVJAGKHIPPRLJB-UHFFFAOYSA-N

Compound name

2-[(3-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	456.11208	206.0
[M+Na]+	478.09402	214.8
[M-H]-	454.09752	211.4
[M+NH4]+	473.13862	212.6
[M+K]+	494.06796	206.9
[M+H-H2O]+	438.10206	194.2
[M+HCOO]-	500.10300	216.5
[M+CH3COO]-	514.11865	232.9
[M+Na-2H]-	476.07947	206.0
[M]+	455.10425	207.0
[M]-	455.10535	207.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

456.11208

206.0

[M+Na]+

478.09402

214.8

[M-H]-

454.09752

211.4

[M+NH4]+

473.13862

212.6

[M+K]+

494.06796

206.9

[M+H-H2O]+

438.10206

194.2

[M+HCOO]-

500.10300

216.5

[M+CH3COO]-

514.11865

232.9

[M+Na-2H]-

476.07947

206.0

[M]+

455.10425

207.0

[M]-

455.10535

207.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2-[(3-chlorophenyl)methyl]-n-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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