PubChemLite - Ml364 (C24H18F3N3O3S2)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)C(=O)NC3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C24H18F3N3O3S2/c1-15-7-10-18(11-8-15)35(32,33)30-20-13-17(24(25,26)27)9-12-19(20)22(31)29-23-28-21(14-34-23)16-5-3-2-4-6-16/h2-14,30H,1H3,(H,28,29,31)

InChIKey

QZUGMNXETPARLI-UHFFFAOYSA-N

Compound name

2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide

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]+	518.08144	211.5
[M+Na]+	540.06338	220.0
[M+NH4]+	535.10798	215.0
[M+K]+	556.03732	213.0
[M-H]-	516.06688	213.2
[M+Na-2H]-	538.04883	218.8
[M]+	517.07361	213.7
[M]-	517.07471	213.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

518.08144

211.5

[M+Na]+

540.06338

220.0

[M+NH4]+

535.10798

215.0

[M+K]+

556.03732

213.0

[M-H]-

516.06688

213.2

[M+Na-2H]-

538.04883

218.8

[M]+

517.07361

213.7

[M]-

517.07471

213.7

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

Ml364

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe