PubChemLite - Acetamide, n-[4-(aminosulfonyl)-2-chlorophenyl]-2-[[5-difluoromethyl-4-(4-cyclopropyl-1-naphthalenyl)-4h-1,2,4-triazol-3-yl]thio]- (C24H20ClF2N5O3S2)

Structural Information

Molecular Formula

SMILES

C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4SCC(=O)NC5=C(C=C(C=C5)S(=O)(=O)N)Cl)C(F)F

InChI

InChI=1S/C24H20ClF2N5O3S2/c25-18-11-14(37(28,34)35)7-9-19(18)29-21(33)12-36-24-31-30-23(22(26)27)32(24)20-10-8-15(13-5-6-13)16-3-1-2-4-17(16)20/h1-4,7-11,13,22H,5-6,12H2,(H,29,33)(H2,28,34,35)

InChIKey

RXGOGCRELVORTQ-UHFFFAOYSA-N

Compound name

N-(2-chloro-4-sulfamoylphenyl)-2-[[4-(4-cyclopropylnaphthalen-1-yl)-5-(difluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]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]+	564.07368	210.3
[M+Na]+	586.05562	220.5
[M-H]-	562.05912	217.1
[M+NH4]+	581.10022	210.1
[M+K]+	602.02956	210.2
[M+H-H2O]+	546.06366	201.9
[M+HCOO]-	608.06460	214.4
[M+CH3COO]-	622.08025	216.5
[M+Na-2H]-	584.04107	210.4
[M]+	563.06585	217.7
[M]-	563.06695	217.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

564.07368

210.3

[M+Na]+

586.05562

220.5

[M-H]-

562.05912

217.1

[M+NH4]+

581.10022

210.1

[M+K]+

602.02956

210.2

[M+H-H2O]+

546.06366

201.9

[M+HCOO]-

608.06460

214.4

[M+CH3COO]-

622.08025

216.5

[M+Na-2H]-

584.04107

210.4

[M]+

563.06585

217.7

[M]-

563.06695

217.7

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

Acetamide, n-[4-(aminosulfonyl)-2-chlorophenyl]-2-[[5-difluoromethyl-4-(4-cyclopropyl-1-naphthalenyl)-4h-1,2,4-triazol-3-yl]thio]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe