PubChemLite - 1-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]-3-(4-pyridyl)imidazolidin-2-one (C23H24F3N5O3)

Structural Information

Molecular Formula

SMILES

CC(CCN1CCN(C1=O)C2=CC=NC=C2)CCOC3=CC=C(C=C3)C4=NOC(=N4)C(F)(F)F

InChI

InChI=1S/C23H24F3N5O3/c1-16(8-12-30-13-14-31(22(30)32)18-6-10-27-11-7-18)9-15-33-19-4-2-17(3-5-19)20-28-21(34-29-20)23(24,25)26/h2-7,10-11,16H,8-9,12-15H2,1H3

InChIKey

QWQAMULOAWDCJZ-UHFFFAOYSA-N

Compound name

1-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one

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]+	476.19042	209.9
[M+Na]+	498.17236	216.3
[M-H]-	474.17586	213.4
[M+NH4]+	493.21696	212.3
[M+K]+	514.14630	211.0
[M+H-H2O]+	458.18040	195.2
[M+HCOO]-	520.18134	219.6
[M+CH3COO]-	534.19699	233.0
[M+Na-2H]-	496.15781	205.5
[M]+	475.18259	209.4
[M]-	475.18369	209.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

476.19042

209.9

[M+Na]+

498.17236

216.3

[M-H]-

474.17586

213.4

[M+NH4]+

493.21696

212.3

[M+K]+

514.14630

211.0

[M+H-H2O]+

458.18040

195.2

[M+HCOO]-

520.18134

219.6

[M+CH3COO]-

534.19699

233.0

[M+Na-2H]-

496.15781

205.5

[M]+

475.18259

209.4

[M]-

475.18369

209.4

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

1-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]-3-(4-pyridyl)imidazolidin-2-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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