PubChemLite - Mk-1064 (C24H20ClN5O3)

Structural Information

Molecular Formula

SMILES

COC1=C(N=C(C=C1)CNC(=O)C2=C(N=CC(=C2)C3=CC(=CN=C3)Cl)C4=CC=CC=N4)OC

InChI

InChI=1S/C24H20ClN5O3/c1-32-21-7-6-18(30-24(21)33-2)14-29-23(31)19-10-16(15-9-17(25)13-26-11-15)12-28-22(19)20-5-3-4-8-27-20/h3-13H,14H2,1-2H3,(H,29,31)

InChIKey

CKTWQGHVNRYNCM-UHFFFAOYSA-N

Compound name

5-(5-chloropyridin-3-yl)-N-[(5,6-dimethoxypyridin-2-yl)methyl]-2-pyridin-2-ylpyridine-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]+	462.13274	211.5
[M+Na]+	484.11468	229.7
[M+NH4]+	479.15928	216.9
[M+K]+	500.08862	220.5
[M-H]-	460.11818	218.3
[M+Na-2H]-	482.10013	223.3
[M]+	461.12491	216.4
[M]-	461.12601	216.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

462.13274

211.5

[M+Na]+

484.11468

229.7

[M+NH4]+

479.15928

216.9

[M+K]+

500.08862

220.5

[M-H]-

460.11818

218.3

[M+Na-2H]-

482.10013

223.3

[M]+

461.12491

216.4

[M]-

461.12601

216.4

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

Mk-1064

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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