PubChemLite - Acetamide, 2,2-dichloro-n-[3-[3-[2-(4-methyl-1-piperazinyl)-6-(trifluoromethyl)phenyl]-5-isoxazolyl]phenyl]- (C23H21Cl2F3N4O2)

Structural Information

Molecular Formula

SMILES

CN1CCN(CC1)C2=CC=CC(=C2C3=NOC(=C3)C4=CC(=CC=C4)NC(=O)C(Cl)Cl)C(F)(F)F

InChI

InChI=1S/C23H21Cl2F3N4O2/c1-31-8-10-32(11-9-31)18-7-3-6-16(23(26,27)28)20(18)17-13-19(34-30-17)14-4-2-5-15(12-14)29-22(33)21(24)25/h2-7,12-13,21H,8-11H2,1H3,(H,29,33)

InChIKey

IAMRFBNCEMJESZ-UHFFFAOYSA-N

Compound name

2,2-dichloro-N-[3-[3-[2-(4-methylpiperazin-1-yl)-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]+	513.10665	216.5
[M+Na]+	535.08859	223.3
[M-H]-	511.09209	221.1
[M+NH4]+	530.13319	219.8
[M+K]+	551.06253	216.1
[M+H-H2O]+	495.09663	202.5
[M+HCOO]-	557.09757	217.0
[M+CH3COO]-	571.11322	221.9
[M+Na-2H]-	533.07404	212.1
[M]+	512.09882	214.8
[M]-	512.09992	214.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

513.10665

216.5

[M+Na]+

535.08859

223.3

[M-H]-

511.09209

221.1

[M+NH4]+

530.13319

219.8

[M+K]+

551.06253

216.1

[M+H-H2O]+

495.09663

202.5

[M+HCOO]-

557.09757

217.0

[M+CH3COO]-

571.11322

221.9

[M+Na-2H]-

533.07404

212.1

[M]+

512.09882

214.8

[M]-

512.09992

214.8

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-(4-methyl-1-piperazinyl)-6-(trifluoromethyl)phenyl]-5-isoxazolyl]phenyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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