CID 25241881

Chembl487218

Structural Information

Molecular Formula
C22H13F4N5
SMILES
C1=CC=C2C(=C1)N=C(N2CC3=CN(N=N3)C4=C(C(=C(C=C4)F)F)F)C5=CC(=CC=C5)F
InChI
InChI=1S/C22H13F4N5/c23-14-5-3-4-13(10-14)22-27-17-6-1-2-7-18(17)30(22)11-15-12-31(29-28-15)19-9-8-16(24)20(25)21(19)26/h1-10,12H,11H2
InChIKey
OQLUDFFRJICJRU-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)-1-[[1-(2,3,4-trifluorophenyl)triazol-4-yl]methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

423.11072 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.11800 197.9
[M+Na]+ 446.09994 212.0
[M-H]- 422.10344 202.5
[M+NH4]+ 441.14454 205.8
[M+K]+ 462.07388 201.1
[M+H-H2O]+ 406.10798 182.2
[M+HCOO]- 468.10892 213.3
[M+CH3COO]- 482.12457 206.9
[M+Na-2H]- 444.08539 195.6
[M]+ 423.11017 197.9
[M]- 423.11127 197.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.