PubChemLite - Acetamide, 2,2-dichloro-n-[3-[3-[2-cyclopentyl-6-(trifluoromethyl)phenyl]-5-isoxazolyl]phenyl]- (C23H19Cl2F3N2O2)

Structural Information

Molecular Formula

SMILES

C1CCC(C1)C2=C(C(=CC=C2)C(F)(F)F)C3=NOC(=C3)C4=CC(=CC=C4)NC(=O)C(Cl)Cl

InChI

InChI=1S/C23H19Cl2F3N2O2/c24-21(25)22(31)29-15-8-3-7-14(11-15)19-12-18(30-32-19)20-16(13-5-1-2-6-13)9-4-10-17(20)23(26,27)28/h3-4,7-13,21H,1-2,5-6H2,(H,29,31)

InChIKey

BFHXDYDLVXUHEQ-UHFFFAOYSA-N

Compound name

2,2-dichloro-N-[3-[3-[2-cyclopentyl-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]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]+	483.08486	211.1
[M+Na]+	505.06680	218.1
[M-H]-	481.07030	218.8
[M+NH4]+	500.11140	220.1
[M+K]+	521.04074	211.0
[M+H-H2O]+	465.07484	200.2
[M+HCOO]-	527.07578	216.6
[M+CH3COO]-	541.09143	218.5
[M+Na-2H]-	503.05225	205.6
[M]+	482.07703	210.5
[M]-	482.07813	210.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.08486

211.1

[M+Na]+

505.06680

218.1

[M-H]-

481.07030

218.8

[M+NH4]+

500.11140

220.1

[M+K]+

521.04074

211.0

[M+H-H2O]+

465.07484

200.2

[M+HCOO]-

527.07578

216.6

[M+CH3COO]-

541.09143

218.5

[M+Na-2H]-

503.05225

205.6

[M]+

482.07703

210.5

[M]-

482.07813

210.5

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

Acetamide, 2,2-dichloro-n-[3-[3-[2-cyclopentyl-6-(trifluoromethyl)phenyl]-5-isoxazolyl]phenyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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