CID 492141

1-[(1r)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-3-(4-fluorophenyl)imidazolidin-2-one

Structural Information

Molecular Formula
C21H20F3N5O2
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)F
InChI
InChI=1S/C21H20F3N5O2/c1-14(28-8-9-29(20(28)30)17-5-2-15(22)3-6-17)21(31,11-27-13-25-12-26-27)18-7-4-16(23)10-19(18)24/h2-7,10,12-14,31H,8-9,11H2,1H3/t14-,21?/m1/s1
InChIKey
BPAXJLGEUJPBEF-CKAQCJTGSA-N
Compound name
1-[(2R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-(4-fluorophenyl)imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

431.15692 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.16420 199.1
[M+Na]+ 454.14614 206.8
[M-H]- 430.14964 201.6
[M+NH4]+ 449.19074 204.3
[M+K]+ 470.12008 199.6
[M+H-H2O]+ 414.15418 185.3
[M+HCOO]- 476.15512 208.8
[M+CH3COO]- 490.17077 205.8
[M+Na-2H]- 452.13159 194.5
[M]+ 431.15637 195.0
[M]- 431.15747 195.0
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.