PubChemLite - Chembl154218 (C24H24Cl2N4O2S)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)C2=CC(=CC=C2)S(=O)(=O)NC3=CC4=C(NN=C4C(=C3)NCC(C)C)Cl)Cl

InChI

InChI=1S/C24H24Cl2N4O2S/c1-14(2)13-27-22-12-18(11-20-23(22)28-29-24(20)26)30-33(31,32)19-6-4-5-16(10-19)17-7-8-21(25)15(3)9-17/h4-12,14,27,30H,13H2,1-3H3,(H,28,29)

InChIKey

VISYVVLIERMOFU-UHFFFAOYSA-N

Compound name

3-(4-chloro-3-methylphenyl)-N-[3-chloro-7-(2-methylpropylamino)-2H-indazol-5-yl]benzenesulfonamide

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]+	503.10698	217.4
[M+Na]+	525.08892	227.4
[M-H]-	501.09242	224.8
[M+NH4]+	520.13352	225.7
[M+K]+	541.06286	218.2
[M+H-H2O]+	485.09696	209.5
[M+HCOO]-	547.09790	223.1
[M+CH3COO]-	561.11355	225.2
[M+Na-2H]-	523.07437	217.7
[M]+	502.09915	225.1
[M]-	502.10025	225.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

503.10698

217.4

[M+Na]+

525.08892

227.4

[M-H]-

501.09242

224.8

[M+NH4]+

520.13352

225.7

[M+K]+

541.06286

218.2

[M+H-H2O]+

485.09696

209.5

[M+HCOO]-

547.09790

223.1

[M+CH3COO]-

561.11355

225.2

[M+Na-2H]-

523.07437

217.7

[M]+

502.09915

225.1

[M]-

502.10025

225.1

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

Chembl154218

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe