PubChemLite - 381706-40-7 (C24H28FN3O5S)

Structural Information

Molecular Formula

SMILES

CN(C)CCCN1C(C(=C(C2=CC=C(C=C2)S(=O)(=O)N(C)C)O)C(=O)C1=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H28FN3O5S/c1-26(2)14-5-15-28-21(16-6-10-18(25)11-7-16)20(23(30)24(28)31)22(29)17-8-12-19(13-9-17)34(32,33)27(3)4/h6-13,21,29H,5,14-15H2,1-4H3

InChIKey

RLAHQDJIXHUVKT-UHFFFAOYSA-N

Compound name

4-[[1-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide

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]+	490.18065	214.7
[M+Na]+	512.16259	219.7
[M-H]-	488.16609	223.2
[M+NH4]+	507.20719	222.7
[M+K]+	528.13653	215.9
[M+H-H2O]+	472.17063	205.1
[M+HCOO]-	534.17157	228.1
[M+CH3COO]-	548.18722	246.0
[M+Na-2H]-	510.14804	209.6
[M]+	489.17282	218.5
[M]-	489.17392	218.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

490.18065

214.7

[M+Na]+

512.16259

219.7

[M-H]-

488.16609

223.2

[M+NH4]+

507.20719

222.7

[M+K]+

528.13653

215.9

[M+H-H2O]+

472.17063

205.1

[M+HCOO]-

534.17157

228.1

[M+CH3COO]-

548.18722

246.0

[M+Na-2H]-

510.14804

209.6

[M]+

489.17282

218.5

[M]-

489.17392

218.5

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

381706-40-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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