CID 513500

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

Structural Information

Molecular Formula
C25H21F2N5O2
SMILES
COC1=CC=CC=C1C2=NC3=CC=CC=C3N2CC(CN4C=NC=N4)(C5=C(C=C(C=C5)F)F)O
InChI
InChI=1S/C25H21F2N5O2/c1-34-23-9-5-2-6-18(23)24-30-21-7-3-4-8-22(21)32(24)14-25(33,13-31-16-28-15-29-31)19-11-10-17(26)12-20(19)27/h2-12,15-16,33H,13-14H2,1H3
InChIKey
MZGAFBPBZZLSCI-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-1-[2-(2-methoxyphenyl)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

461.16632 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.17360 209.6
[M+Na]+ 484.15554 219.6
[M-H]- 460.15904 215.0
[M+NH4]+ 479.20014 214.7
[M+K]+ 500.12948 210.9
[M+H-H2O]+ 444.16358 195.8
[M+HCOO]- 506.16452 223.3
[M+CH3COO]- 520.18017 217.1
[M+Na-2H]- 482.14099 209.7
[M]+ 461.16577 211.7
[M]- 461.16687 211.7
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.