CID 492145

1-[(1r)-2-(2,4-difluorophenyl)-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

Molecular Formula
C24H23F6N5O3
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)OCC(C(F)F)(F)F
InChI
InChI=1S/C24H23F6N5O3/c1-15(23(37,11-33-14-31-13-32-33)19-7-2-16(25)10-20(19)26)34-8-9-35(22(34)36)17-3-5-18(6-4-17)38-12-24(29,30)21(27)28/h2-7,10,13-15,21,37H,8-9,11-12H2,1H3/t15-,23?/m1/s1
InChIKey
MSGIBEYZNFFBOG-NKTHEXPSSA-N
Compound name
1-[(2R)-3-(2,4-difluorophenyl)-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

compound 2d structure
1
Annotation Hits

1
References

0
Patents

543.17053 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.17781 219.5
[M+Na]+ 566.15975 225.6
[M-H]- 542.16325 218.3
[M+NH4]+ 561.20435 220.0
[M+K]+ 582.13369 218.7
[M+H-H2O]+ 526.16779 203.7
[M+HCOO]- 588.16873 222.7
[M+CH3COO]- 602.18438 244.1
[M+Na-2H]- 564.14520 213.0
[M]+ 543.16998 213.5
[M]- 543.17108 213.5
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.