PubChemLite - 954138-07-9 (C24H32N6O4)

Structural Information

Molecular Formula

SMILES

CCCOCCN1C2=CC(=NC=C2N=C(C1=O)N3CCN(CC3)CCO)C4=CN=C(C=C4)OC

InChI

InChI=1S/C24H32N6O4/c1-3-13-34-14-11-30-21-15-19(18-4-5-22(33-2)26-16-18)25-17-20(21)27-23(24(30)32)29-8-6-28(7-9-29)10-12-31/h4-5,15-17,31H,3,6-14H2,1-2H3

InChIKey

MNLNAGRCHNMKKJ-UHFFFAOYSA-N

Compound name

3-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one

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]+	469.25578	219.2
[M+Na]+	491.23772	233.3
[M+NH4]+	486.28232	222.2
[M+K]+	507.21166	226.0
[M-H]-	467.24122	221.1
[M+Na-2H]-	489.22317	223.9
[M]+	468.24795	221.5
[M]-	468.24905	221.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

469.25578

219.2

[M+Na]+

491.23772

233.3

[M+NH4]+

486.28232

222.2

[M+K]+

507.21166

226.0

[M-H]-

467.24122

221.1

[M+Na-2H]-

489.22317

223.9

[M]+

468.24795

221.5

[M]-

468.24905

221.5

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

954138-07-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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