PubChemLite - 2h-pyrido[1,2-a]pyrazine-7-carboxamide, 2-[(3-chlorophenyl)methyl]-n-(diphenylmethyl)-1,8-dihydro-9-hydroxy-1,8-dioxo- (C29H22ClN3O4)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CN4C=CN(C(=O)C4=C(C3=O)O)CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C29H22ClN3O4/c30-22-13-7-8-19(16-22)17-33-15-14-32-18-23(26(34)27(35)25(32)29(33)37)28(36)31-24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-16,18,24,35H,17H2,(H,31,36)

InChIKey

ZZGBDEQONSOQSA-UHFFFAOYSA-N

Compound name

N-benzhydryl-2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[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]+	512.13716	221.4
[M+Na]+	534.11910	228.8
[M-H]-	510.12260	230.8
[M+NH4]+	529.16370	224.5
[M+K]+	550.09304	220.7
[M+H-H2O]+	494.12714	208.1
[M+HCOO]-	556.12808	233.5
[M+CH3COO]-	570.14373	228.0
[M+Na-2H]-	532.10455	222.9
[M]+	511.12933	224.1
[M]-	511.13043	224.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

512.13716

221.4

[M+Na]+

534.11910

228.8

[M-H]-

510.12260

230.8

[M+NH4]+

529.16370

224.5

[M+K]+

550.09304

220.7

[M+H-H2O]+

494.12714

208.1

[M+HCOO]-

556.12808

233.5

[M+CH3COO]-

570.14373

228.0

[M+Na-2H]-

532.10455

222.9

[M]+

511.12933

224.1

[M]-

511.13043

224.1

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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