PubChemLite - 2-[2-(3-cyanobenzoyl)-4-(trifluoromethyl)phenoxy]-n-(2-methyl-4-sulfamoyl-phenyl)acetamide (C24H18F3N3O5S)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N)NC(=O)COC2=C(C=C(C=C2)C(F)(F)F)C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C24H18F3N3O5S/c1-14-9-18(36(29,33)34)6-7-20(14)30-22(31)13-35-21-8-5-17(24(25,26)27)11-19(21)23(32)16-4-2-3-15(10-16)12-28/h2-11H,13H2,1H3,(H,30,31)(H2,29,33,34)

InChIKey

RKTCSTQIZIFQQW-UHFFFAOYSA-N

Compound name

2-[2-(3-cyanobenzoyl)-4-(trifluoromethyl)phenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide

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]+	518.09918	230.6
[M+Na]+	540.08112	238.3
[M-H]-	516.08462	233.8
[M+NH4]+	535.12572	234.4
[M+K]+	556.05506	232.4
[M+H-H2O]+	500.08916	212.3
[M+HCOO]-	562.09010	238.7
[M+CH3COO]-	576.10575	250.4
[M+Na-2H]-	538.06657	227.7
[M]+	517.09135	224.6
[M]-	517.09245	224.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

518.09918

230.6

[M+Na]+

540.08112

238.3

[M-H]-

516.08462

233.8

[M+NH4]+

535.12572

234.4

[M+K]+

556.05506

232.4

[M+H-H2O]+

500.08916

212.3

[M+HCOO]-

562.09010

238.7

[M+CH3COO]-

576.10575

250.4

[M+Na-2H]-

538.06657

227.7

[M]+

517.09135

224.6

[M]-

517.09245

224.6

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

2-[2-(3-cyanobenzoyl)-4-(trifluoromethyl)phenoxy]-n-(2-methyl-4-sulfamoyl-phenyl)acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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