CID 513493

2-(2,4-difluorophenyl)-1-(2-phenylbenzimidazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol

Structural Information

Molecular Formula
C24H19F2N5O
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2CC(CN4C=NC=N4)(C5=C(C=C(C=C5)F)F)O
InChI
InChI=1S/C24H19F2N5O/c25-18-10-11-19(20(26)12-18)24(32,13-30-16-27-15-28-30)14-31-22-9-5-4-8-21(22)29-23(31)17-6-2-1-3-7-17/h1-12,15-16,32H,13-14H2
InChIKey
RNPUQUXTAWWMMS-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-1-(2-phenylbenzimidazol-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

431.15576 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.16304 201.5
[M+Na]+ 454.14498 211.5
[M-H]- 430.14848 206.6
[M+NH4]+ 449.18958 207.7
[M+K]+ 470.11892 202.1
[M+H-H2O]+ 414.15302 187.7
[M+HCOO]- 476.15396 215.5
[M+CH3COO]- 490.16961 209.3
[M+Na-2H]- 452.13043 202.7
[M]+ 431.15521 201.7
[M]- 431.15631 201.7
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.