CID 513495

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

Structural Information

Molecular Formula
C24H18ClF2N5O
SMILES
C1=CC=C2C(=C1)N=C(N2CC(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H18ClF2N5O/c25-17-7-5-16(6-8-17)23-30-21-3-1-2-4-22(21)32(23)13-24(33,12-31-15-28-14-29-31)19-10-9-18(26)11-20(19)27/h1-11,14-15,33H,12-13H2
InChIKey
ZVSIPDWNCZMHFB-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)benzimidazol-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

465.1168 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.12408 208.9
[M+Na]+ 488.10602 220.2
[M-H]- 464.10952 213.8
[M+NH4]+ 483.15062 214.7
[M+K]+ 504.07996 209.9
[M+H-H2O]+ 448.11406 194.6
[M+HCOO]- 510.11500 218.0
[M+CH3COO]- 524.13065 216.4
[M+Na-2H]- 486.09147 208.7
[M]+ 465.11625 211.6
[M]- 465.11735 211.6
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.