PubChemLite - Schembl4324033 (C20H21Cl2N3O4)

Structural Information

Molecular Formula

SMILES

CC(C)N(C)C(=O)C1=CC(=O)C(=C2N1CCN(C2=O)CC3=CC(=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C20H21Cl2N3O4/c1-11(2)23(3)19(28)15-9-16(26)18(27)17-20(29)24(6-7-25(15)17)10-12-4-5-13(21)14(22)8-12/h4-5,8-9,11,27H,6-7,10H2,1-3H3

InChIKey

CSVNWIKWHPKNJI-UHFFFAOYSA-N

Compound name

2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-N-methyl-1,8-dioxo-N-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-6-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]+	438.09818	195.6
[M+Na]+	460.08012	204.7
[M-H]-	436.08362	200.3
[M+NH4]+	455.12472	205.0
[M+K]+	476.05406	199.4
[M+H-H2O]+	420.08816	187.8
[M+HCOO]-	482.08910	201.9
[M+CH3COO]-	496.10475	233.0
[M+Na-2H]-	458.06557	193.4
[M]+	437.09035	201.3
[M]-	437.09145	201.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

438.09818

195.6

[M+Na]+

460.08012

204.7

[M-H]-

436.08362

200.3

[M+NH4]+

455.12472

205.0

[M+K]+

476.05406

199.4

[M+H-H2O]+

420.08816

187.8

[M+HCOO]-

482.08910

201.9

[M+CH3COO]-

496.10475

233.0

[M+Na-2H]-

458.06557

193.4

[M]+

437.09035

201.3

[M]-

437.09145

201.3

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

Schembl4324033

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe