CID 513483

1-[2-(4-chlorophenyl)imidazol-1-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol

Structural Information

Molecular Formula
C20H16ClF2N5O
SMILES
C1=CC(=CC=C1C2=NC=CN2CC(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O)Cl
InChI
InChI=1S/C20H16ClF2N5O/c21-15-3-1-14(2-4-15)19-25-7-8-27(19)10-20(29,11-28-13-24-12-26-28)17-6-5-16(22)9-18(17)23/h1-9,12-13,29H,10-11H2
InChIKey
VNDOIXGFERQBIR-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)imidazol-1-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.10114 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.10842 193.0
[M+Na]+ 438.09036 204.0
[M-H]- 414.09386 197.0
[M+NH4]+ 433.13496 199.9
[M+K]+ 454.06430 194.9
[M+H-H2O]+ 398.09840 179.2
[M+HCOO]- 460.09934 203.9
[M+CH3COO]- 474.11499 201.6
[M+Na-2H]- 436.07581 193.2
[M]+ 415.10059 195.1
[M]- 415.10169 195.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.