PubChemLite - [6-({4-[3-(ethylamino)(2-pyridyl)]piperazinyl}carbonyl)(3-pyridyl)]-n-(2-morpholin-2-ylethyl)carboxamide (C24H33N7O3)

Structural Information

Molecular Formula

SMILES

CCNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=NC=C(C=C3)C(=O)NCCC4CNCCO4

InChI

InChI=1S/C24H33N7O3/c1-2-26-20-4-3-8-27-22(20)30-11-13-31(14-12-30)24(33)21-6-5-18(16-29-21)23(32)28-9-7-19-17-25-10-15-34-19/h3-6,8,16,19,25-26H,2,7,9-15,17H2,1H3,(H,28,32)

InChIKey

JSKWJVGLGUCQIU-UHFFFAOYSA-N

Compound name

6-[4-[3-(ethylamino)pyridin-2-yl]piperazine-1-carbonyl]-N-(2-morpholin-2-ylethyl)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]+	468.27178	214.1
[M+Na]+	490.25372	213.1
[M-H]-	466.25722	217.0
[M+NH4]+	485.29832	210.9
[M+K]+	506.22766	207.5
[M+H-H2O]+	450.26176	199.1
[M+HCOO]-	512.26270	220.7
[M+CH3COO]-	526.27835	216.4
[M+Na-2H]-	488.23917	213.6
[M]+	467.26395	205.4
[M]-	467.26505	205.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

468.27178

214.1

[M+Na]+

490.25372

213.1

[M-H]-

466.25722

217.0

[M+NH4]+

485.29832

210.9

[M+K]+

506.22766

207.5

[M+H-H2O]+

450.26176

199.1

[M+HCOO]-

512.26270

220.7

[M+CH3COO]-

526.27835

216.4

[M+Na-2H]-

488.23917

213.6

[M]+

467.26395

205.4

[M]-

467.26505

205.4

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

[6-({4-[3-(ethylamino)(2-pyridyl)]piperazinyl}carbonyl)(3-pyridyl)]-n-(2-morpholin-2-ylethyl)carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe