PubChemLite - 6-[4-[3-(isobutylamino)-2-pyridyl]piperazine-1-carbonyl]-n-(3-methyl-2-pyridyl)pyridine-3-carboxamide (C26H31N7O2)

Structural Information

Molecular Formula

SMILES

CC1=C(N=CC=C1)NC(=O)C2=CN=C(C=C2)C(=O)N3CCN(CC3)C4=C(C=CC=N4)NCC(C)C

InChI

InChI=1S/C26H31N7O2/c1-18(2)16-29-21-7-5-11-28-24(21)32-12-14-33(15-13-32)26(35)22-9-8-20(17-30-22)25(34)31-23-19(3)6-4-10-27-23/h4-11,17-18,29H,12-16H2,1-3H3,(H,27,31,34)

InChIKey

YWGTUJGYKAVYIX-UHFFFAOYSA-N

Compound name

6-[4-[3-(2-methylpropylamino)pyridin-2-yl]piperazine-1-carbonyl]-N-(3-methylpyridin-2-yl)pyridine-3-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]+	474.26122	216.7
[M+Na]+	496.24316	218.6
[M-H]-	472.24666	221.6
[M+NH4]+	491.28776	215.6
[M+K]+	512.21710	211.7
[M+H-H2O]+	456.25120	201.8
[M+HCOO]-	518.25214	227.9
[M+CH3COO]-	532.26779	220.6
[M+Na-2H]-	494.22861	216.7
[M]+	473.25339	212.3
[M]-	473.25449	212.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

474.26122

216.7

[M+Na]+

496.24316

218.6

[M-H]-

472.24666

221.6

[M+NH4]+

491.28776

215.6

[M+K]+

512.21710

211.7

[M+H-H2O]+

456.25120

201.8

[M+HCOO]-

518.25214

227.9

[M+CH3COO]-

532.26779

220.6

[M+Na-2H]-

494.22861

216.7

[M]+

473.25339

212.3

[M]-

473.25449

212.3

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

6-[4-[3-(isobutylamino)-2-pyridyl]piperazine-1-carbonyl]-n-(3-methyl-2-pyridyl)pyridine-3-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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