PubChemLite - Azd2858 (C21H23N7O3S)

Structural Information

Molecular Formula

SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N

InChI

InChI=1S/C21H23N7O3S/c1-27-9-11-28(12-10-27)32(30,31)17-6-4-15(5-7-17)18-14-24-20(22)19(26-18)21(29)25-16-3-2-8-23-13-16/h2-8,13-14H,9-12H2,1H3,(H2,22,24)(H,25,29)

InChIKey

FHCSBLWRGCOVPT-UHFFFAOYSA-N

Compound name

3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-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]+	454.16558	206.1
[M+Na]+	476.14752	211.7
[M-H]-	452.15102	211.5
[M+NH4]+	471.19212	206.7
[M+K]+	492.12146	203.9
[M+H-H2O]+	436.15556	193.8
[M+HCOO]-	498.15650	214.7
[M+CH3COO]-	512.17215	211.6
[M+Na-2H]-	474.13297	209.0
[M]+	453.15775	202.7
[M]-	453.15885	202.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

454.16558

206.1

[M+Na]+

476.14752

211.7

[M-H]-

452.15102

211.5

[M+NH4]+

471.19212

206.7

[M+K]+

492.12146

203.9

[M+H-H2O]+

436.15556

193.8

[M+HCOO]-

498.15650

214.7

[M+CH3COO]-

512.17215

211.6

[M+Na-2H]-

474.13297

209.0

[M]+

453.15775

202.7

[M]-

453.15885

202.7

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

Azd2858

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe