PubChemLite - 1-[(1r)-2-(2-fluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazolidin-2-one (C24H24F5N5O3)

Structural Information

Molecular Formula

SMILES

C[C@H](C(CN1C=NC=N1)(C2=CC=CC=C2F)O)N3CCN(C3=O)C4=CC=C(C=C4)OCC(C(F)F)(F)F

InChI

InChI=1S/C24H24F5N5O3/c1-16(23(36,12-32-15-30-14-31-32)19-4-2-3-5-20(19)25)33-10-11-34(22(33)35)17-6-8-18(9-7-17)37-13-24(28,29)21(26)27/h2-9,14-16,21,36H,10-13H2,1H3/t16-,23?/m1/s1

InChIKey

BJHUQFSWROFSMI-ADRQNKRLSA-N

Compound name

1-[(2R)-3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazolidin-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]+	526.18721	216.2
[M+Na]+	548.16915	221.3
[M-H]-	524.17265	215.9
[M+NH4]+	543.21375	217.1
[M+K]+	564.14309	214.9
[M+H-H2O]+	508.17719	200.9
[M+HCOO]-	570.17813	220.4
[M+CH3COO]-	584.19378	240.4
[M+Na-2H]-	546.15460	210.9
[M]+	525.17938	210.8
[M]-	525.18048	210.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

526.18721

216.2

[M+Na]+

548.16915

221.3

[M-H]-

524.17265

215.9

[M+NH4]+

543.21375

217.1

[M+K]+

564.14309

214.9

[M+H-H2O]+

508.17719

200.9

[M+HCOO]-

570.17813

220.4

[M+CH3COO]-

584.19378

240.4

[M+Na-2H]-

546.15460

210.9

[M]+

525.17938

210.8

[M]-

525.18048

210.8

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

1-[(1r)-2-(2-fluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazolidin-2-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe