PubChemLite - Acetamide, n-[2-chloro-4-(3-hydroxy-3-methyl-1-butynyl)phenyl]-2-[[4-(2-chloro-4-methylphenyl)-5-methyl-1h-pyrazol-3-yl]oxy]- (C24H23Cl2N3O3)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C=C1)C2=C(NN=C2OCC(=O)NC3=C(C=C(C=C3)C#CC(C)(C)O)Cl)C)Cl

InChI

InChI=1S/C24H23Cl2N3O3/c1-14-5-7-17(18(25)11-14)22-15(2)28-29-23(22)32-13-21(30)27-20-8-6-16(12-19(20)26)9-10-24(3,4)31/h5-8,11-12,31H,13H2,1-4H3,(H,27,30)(H,28,29)

InChIKey

RINSRGBEABDBDM-UHFFFAOYSA-N

Compound name

N-[2-chloro-4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-2-[[4-(2-chloro-4-methylphenyl)-5-methyl-1H-pyrazol-3-yl]oxy]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]+	472.11891	216.6
[M+Na]+	494.10085	226.9
[M-H]-	470.10435	218.1
[M+NH4]+	489.14545	222.6
[M+K]+	510.07479	216.7
[M+H-H2O]+	454.10889	202.0
[M+HCOO]-	516.10983	218.8
[M+CH3COO]-	530.12548	233.6
[M+Na-2H]-	492.08630	211.8
[M]+	471.11108	214.7
[M]-	471.11218	214.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

472.11891

216.6

[M+Na]+

494.10085

226.9

[M-H]-

470.10435

218.1

[M+NH4]+

489.14545

222.6

[M+K]+

510.07479

216.7

[M+H-H2O]+

454.10889

202.0

[M+HCOO]-

516.10983

218.8

[M+CH3COO]-

530.12548

233.6

[M+Na-2H]-

492.08630

211.8

[M]+

471.11108

214.7

[M]-

471.11218

214.7

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

Acetamide, n-[2-chloro-4-(3-hydroxy-3-methyl-1-butynyl)phenyl]-2-[[4-(2-chloro-4-methylphenyl)-5-methyl-1h-pyrazol-3-yl]oxy]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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