CID 483295

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

Structural Information

Molecular Formula
C24H23F2N7O2
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)N5C=CC=N5
InChI
InChI=1S/C24H23F2N7O2/c1-17(24(35,14-30-16-27-15-29-30)21-8-3-18(25)13-22(21)26)31-11-12-32(23(31)34)19-4-6-20(7-5-19)33-10-2-9-28-33/h2-10,13,15-17,35H,11-12,14H2,1H3/t17-,24-/m0/s1
InChIKey
NCECZODUGHLMAP-XDHUDOTRSA-N
Compound name
1-[(2S,3S)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-(4-pyrazol-1-ylphenyl)imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

479.18814 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.19542 206.3
[M+Na]+ 502.17736 214.0
[M-H]- 478.18086 212.3
[M+NH4]+ 497.22196 208.5
[M+K]+ 518.15130 206.7
[M+H-H2O]+ 462.18540 192.5
[M+HCOO]- 524.18634 216.8
[M+CH3COO]- 538.20199 212.6
[M+Na-2H]- 500.16281 200.7
[M]+ 479.18759 205.1
[M]- 479.18869 205.1
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.