PubChemLite - 1-[5-[4-(4-chlorophenyl)phenoxy]-3-(trifluoromethyl)pentyl]-3-(4-pyridyl)imidazolidin-2-one (C26H25ClF3N3O2)

Structural Information

Molecular Formula

SMILES

C1CN(C(=O)N1CCC(CCOC2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(F)(F)F)C4=CC=NC=C4

InChI

InChI=1S/C26H25ClF3N3O2/c27-22-5-1-19(2-6-22)20-3-7-24(8-4-20)35-18-12-21(26(28,29)30)11-15-32-16-17-33(25(32)34)23-9-13-31-14-10-23/h1-10,13-14,21H,11-12,15-18H2

InChIKey

XZJPKKVCUNZENH-UHFFFAOYSA-N

Compound name

1-[5-[4-(4-chlorophenyl)phenoxy]-3-(trifluoromethyl)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]+	504.16603	219.6
[M+Na]+	526.14797	225.7
[M-H]-	502.15147	223.5
[M+NH4]+	521.19257	223.8
[M+K]+	542.12191	216.7
[M+H-H2O]+	486.15601	204.1
[M+HCOO]-	548.15695	226.0
[M+CH3COO]-	562.17260	237.4
[M+Na-2H]-	524.13342	215.7
[M]+	503.15820	218.5
[M]-	503.15930	218.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

504.16603

219.6

[M+Na]+

526.14797

225.7

[M-H]-

502.15147

223.5

[M+NH4]+

521.19257

223.8

[M+K]+

542.12191

216.7

[M+H-H2O]+

486.15601

204.1

[M+HCOO]-

548.15695

226.0

[M+CH3COO]-

562.17260

237.4

[M+Na-2H]-

524.13342

215.7

[M]+

503.15820

218.5

[M]-

503.15930

218.5

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

1-[5-[4-(4-chlorophenyl)phenoxy]-3-(trifluoromethyl)pentyl]-3-(4-pyridyl)imidazolidin-2-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe