CID 44563086

Chembl488068

Structural Information

Molecular Formula
C23H15F4N5
SMILES
C1=CC=C2C(=C1)N=C(N2CC3=CN(N=N3)C4=CC=C(C=C4)C(F)(F)F)C5=CC(=CC=C5)F
InChI
InChI=1S/C23H15F4N5/c24-17-5-3-4-15(12-17)22-28-20-6-1-2-7-21(20)31(22)13-18-14-32(30-29-18)19-10-8-16(9-11-19)23(25,26)27/h1-12,14H,13H2
InChIKey
JKOBWUWROYUXHH-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)-1-[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

437.12637 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.13365 202.0
[M+Na]+ 460.11559 214.3
[M-H]- 436.11909 206.2
[M+NH4]+ 455.16019 208.9
[M+K]+ 476.08953 203.9
[M+H-H2O]+ 420.12363 186.4
[M+HCOO]- 482.12457 215.5
[M+CH3COO]- 496.14022 210.1
[M+Na-2H]- 458.10104 201.7
[M]+ 437.12582 200.8
[M]- 437.12692 200.8
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.