CID 492137

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]imidazol-2-one

Structural Information

Molecular Formula
C23H19F6N5O3
SMILES
C[C@H](C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C=CN(C3=O)C4=CC=C(C=C4)OC(C(F)F)(F)F
InChI
InChI=1S/C23H19F6N5O3/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/h2-10,12-14,20,36H,11H2,1H3/t14-,22?/m1/s1
InChIKey
YJJODQFJRBQQDG-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]imidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

527.1392 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.14648 212.9
[M+Na]+ 550.12842 222.2
[M-H]- 526.13192 213.2
[M+NH4]+ 545.17302 214.3
[M+K]+ 566.10236 214.8
[M+H-H2O]+ 510.13646 197.3
[M+HCOO]- 572.13740 220.4
[M+CH3COO]- 586.15305 240.4
[M+Na-2H]- 548.11387 209.5
[M]+ 527.13865 210.6
[M]- 527.13975 210.6
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.