CID 492138

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]imidazol-2-one

Structural Information

Molecular Formula
C24H21F6N5O3
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)OCC(C(F)F)(F)F
InChI
InChI=1S/C24H21F6N5O3/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/h2-10,13-15,21,37H,11-12H2,1H3/t15-,23?/m1/s1
InChIKey
WAASYEUXWAQZJP-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]imidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

541.15485 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.16213 217.1
[M+Na]+ 564.14407 225.9
[M-H]- 540.14757 217.2
[M+NH4]+ 559.18867 218.0
[M+K]+ 580.11801 218.4
[M+H-H2O]+ 524.15211 201.3
[M+HCOO]- 586.15305 224.3
[M+CH3COO]- 600.16870 243.1
[M+Na-2H]- 562.12952 213.3
[M]+ 541.15430 215.1
[M]- 541.15540 215.1
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.