38060-05-8 (C24H28F3N3O3)

Structural Information

Molecular Formula

SMILES

C/C(=N\OCC(=O)N(CCN1CCOCC1)C2=CC=CC=C2)/CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C24H28F3N3O3/c1-19(16-20-6-5-7-21(17-20)24(25,26)27)28-33-18-23(31)30(22-8-3-2-4-9-22)11-10-29-12-14-32-15-13-29/h2-9,17H,10-16,18H2,1H3/b28-19+

InChIKey

SMADYDQKLAWBMX-TURZUDJPSA-N

Compound name

N-(2-morpholin-4-ylethyl)-N-phenyl-2-[(E)-1-[3-(trifluoromethyl)phenyl]propan-2-ylideneamino]oxyacetamide

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]+	464.215556	212.1
[M+Na]+	486.197498	212.8
[M-H]-	462.201004	217.3
[M+NH4]+	481.242103	216.8
[M+K]+	502.171438	210.4
[M+H-H2O]+	446.205540	197.4
[M+HCOO]-	508.206481	225.8
[M+CH3COO]-	522.222131	240.9
[M+Na-2H]-	484.182946	211.8
[M]+	463.20773142	208.3
[M]-	463.20882858	208.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

464.215556

212.1

[M+Na]+

486.197498

212.8

[M-H]-

462.201004

217.3

[M+NH4]+

481.242103

216.8

[M+K]+

502.171438

210.4

[M+H-H2O]+

446.205540

197.4

[M+HCOO]-

508.206481

225.8

[M+CH3COO]-

522.222131

240.9

[M+Na-2H]-

484.182946

211.8

[M]+

463.20773142

208.3

[M]-

463.20882858

208.3

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

38060-05-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe