PubChemLite - 94593-43-8 (C23H21ClF4N2O3)

Structural Information

Molecular Formula

SMILES

CCN(C(C)CC1=CC(=CC=C1)C(F)(F)F)OC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)F)C

InChI

InChI=1S/C23H21ClF4N2O3/c1-4-30(13(2)11-15-7-5-8-16(12-15)23(26,27)28)33-22(31)19-14(3)32-29-21(19)20-17(24)9-6-10-18(20)25/h5-10,12-13H,4,11H2,1-3H3

InChIKey

QXXDZMLRZMWRIG-UHFFFAOYSA-N

Compound name

[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

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]+	485.12496	212.2
[M+Na]+	507.10690	220.8
[M-H]-	483.11040	218.1
[M+NH4]+	502.15150	220.2
[M+K]+	523.08084	216.1
[M+H-H2O]+	467.11494	199.8
[M+HCOO]-	529.11588	223.2
[M+CH3COO]-	543.13153	241.5
[M+Na-2H]-	505.09235	208.1
[M]+	484.11713	216.1
[M]-	484.11823	216.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

485.12496

212.2

[M+Na]+

507.10690

220.8

[M-H]-

483.11040

218.1

[M+NH4]+

502.15150

220.2

[M+K]+

523.08084

216.1

[M+H-H2O]+

467.11494

199.8

[M+HCOO]-

529.11588

223.2

[M+CH3COO]-

543.13153

241.5

[M+Na-2H]-

505.09235

208.1

[M]+

484.11713

216.1

[M]-

484.11823

216.1

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

94593-43-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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