CID 3002961

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)-1,3-dihydro-imidazol-2-one

Structural Information

Molecular Formula
C24H21F2N7O2
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)N5C=CC=N5
InChI
InChI=1S/C24H21F2N7O2/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/h2-13,15-17,35H,14H2,1H3/t17-,24-/m0/s1
InChIKey
VYXRKCUIYJWNMZ-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)imidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

477.1725 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.17978 204.5
[M+Na]+ 500.16172 214.1
[M-H]- 476.16522 211.4
[M+NH4]+ 495.20632 207.0
[M+K]+ 516.13566 206.3
[M+H-H2O]+ 460.16976 190.9
[M+HCOO]- 522.17070 217.6
[M+CH3COO]- 536.18635 211.8
[M+Na-2H]- 498.14717 200.9
[M]+ 477.17195 206.0
[M]- 477.17305 206.0
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.