PubChemLite - 1262985-24-9 (C24H16BrCl2F2N3O4S)

Structural Information

Molecular Formula

SMILES

CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CN(C3=C2C=C(C=N3)Br)C(=O)C4=C(C=CC=C4Cl)Cl)F

InChI

InChI=1S/C24H16BrCl2F2N3O4S/c1-2-8-37(35,36)31-18-7-6-17(28)20(21(18)29)22(33)14-11-32(23-13(14)9-12(25)10-30-23)24(34)19-15(26)4-3-5-16(19)27/h3-7,9-11,31H,2,8H2,1H3

InChIKey

UNMVKSILGFGKIZ-UHFFFAOYSA-N

Compound name

N-[3-[5-bromo-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide

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]+	629.94628	223.8
[M+Na]+	651.92822	228.1
[M+NH4]+	646.97282	224.5
[M+K]+	667.90216	226.6
[M-H]-	627.93172	223.3
[M+Na-2H]-	649.91367	225.6
[M]+	628.93845	223.9
[M]-	628.93955	223.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

629.94628

223.8

[M+Na]+

651.92822

228.1

[M+NH4]+

646.97282

224.5

[M+K]+

667.90216

226.6

[M-H]-

627.93172

223.3

[M+Na-2H]-

649.91367

225.6

[M]+

628.93845

223.9

[M]-

628.93955

223.9

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

1262985-24-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe