CID 492144

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

Structural Information

Molecular Formula
C23H21F6N5O3
SMILES
C[C@H](C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCN(C3=O)C4=CC=C(C=C4)OC(C(F)F)(F)F
InChI
InChI=1S/C23H21F6N5O3/c1-14(22(36,11-32-13-30-12-31-32)18-7-2-15(24)10-19(18)25)33-8-9-34(21(33)35)16-3-5-17(6-4-16)37-23(28,29)20(26)27/h2-7,10,12-14,20,36H,8-9,11H2,1H3/t14-,22?/m1/s1
InChIKey
KOMQGOCUOBRKAS-HNNQXCQYSA-N
Compound name
1-[(2R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

529.15485 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.16213 215.4
[M+Na]+ 552.14407 221.9
[M-H]- 528.14757 214.4
[M+NH4]+ 547.18867 216.4
[M+K]+ 568.11801 215.2
[M+H-H2O]+ 512.15211 199.8
[M+HCOO]- 574.15305 218.9
[M+CH3COO]- 588.16870 241.4
[M+Na-2H]- 550.12952 209.3
[M]+ 529.15430 209.0
[M]- 529.15540 209.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.