CID 513497

1h-benzimidazole-1-ethanol, alpha-(2,4-difluorophenyl)-2-(4-pyridinyl)-alpha-(1h-1,2,4-triazol-1-ylmethyl)-

Structural Information

Molecular Formula
C23H18F2N6O
SMILES
C1=CC=C2C(=C1)N=C(N2CC(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O)C5=CC=NC=C5
InChI
InChI=1S/C23H18F2N6O/c24-17-5-6-18(19(25)11-17)23(32,12-30-15-27-14-28-30)13-31-21-4-2-1-3-20(21)29-22(31)16-7-9-26-10-8-16/h1-11,14-15,32H,12-13H2
InChIKey
FYIIXZBGIZYMTR-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-1-(2-pyridin-4-ylbenzimidazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.151 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.15828 201.1
[M+Na]+ 455.14022 211.4
[M-H]- 431.14372 205.1
[M+NH4]+ 450.18482 205.8
[M+K]+ 471.11416 201.8
[M+H-H2O]+ 415.14826 186.8
[M+HCOO]- 477.14920 213.9
[M+CH3COO]- 491.16485 208.5
[M+Na-2H]- 453.12567 202.7
[M]+ 432.15045 201.3
[M]- 432.15155 201.3
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.