CID 6479275

1h-benzimidazole-1-ethanol, a-(2,4-difluorophenyl)-2-[(e)-2-phenylethenyl]-a-(1h-1,2,4-triazol-1-ylmethyl)-

Structural Information

Molecular Formula
C26H21F2N5O
SMILES
C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3N2CC(CN4C=NC=N4)(C5=C(C=C(C=C5)F)F)O
InChI
InChI=1S/C26H21F2N5O/c27-20-11-12-21(22(28)14-20)26(34,15-32-18-29-17-30-32)16-33-24-9-5-4-8-23(24)31-25(33)13-10-19-6-2-1-3-7-19/h1-14,17-18,34H,15-16H2/b13-10+
InChIKey
PNRPHKINMRWCND-JLHYYAGUSA-N
Compound name
2-(2,4-difluorophenyl)-1-[2-[(E)-2-phenylethenyl]benzimidazol-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

457.17142 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.17870 210.0
[M+Na]+ 480.16064 219.4
[M-H]- 456.16414 214.7
[M+NH4]+ 475.20524 215.1
[M+K]+ 496.13458 209.1
[M+H-H2O]+ 440.16868 195.8
[M+HCOO]- 502.16962 223.5
[M+CH3COO]- 516.18527 217.0
[M+Na-2H]- 478.14609 210.1
[M]+ 457.17087 210.0
[M]- 457.17197 210.0
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.