PubChemLite - 1-propanesulfonamide, n-[3-[[5-bromo-1-(2,6-dichlorobenzoyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]- (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	221.3
[M+Na]+	651.92822	236.1
[M-H]-	627.93172	230.6
[M+NH4]+	646.97282	229.8
[M+K]+	667.90216	221.0
[M+H-H2O]+	611.93626	218.7
[M+HCOO]-	673.93720	223.8
[M+CH3COO]-	687.95285	252.3
[M+Na-2H]-	649.91367	220.6
[M]+	628.93845	248.4
[M]-	628.93955	248.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

629.94628

221.3

[M+Na]+

651.92822

236.1

[M-H]-

627.93172

230.6

[M+NH4]+

646.97282

229.8

[M+K]+

667.90216

221.0

[M+H-H2O]+

611.93626

218.7

[M+HCOO]-

673.93720

223.8

[M+CH3COO]-

687.95285

252.3

[M+Na-2H]-

649.91367

220.6

[M]+

628.93845

248.4

[M]-

628.93955

248.4

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

1-propanesulfonamide, n-[3-[[5-bromo-1-(2,6-dichlorobenzoyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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