CID 25169393

2-(3-fluorophenyl)-1-[[1-(3-fluorophenyl)triazol-4-yl]methyl]benzimidazole

Structural Information

Molecular Formula
C22H15F2N5
SMILES
C1=CC=C2C(=C1)N=C(N2CC3=CN(N=N3)C4=CC(=CC=C4)F)C5=CC(=CC=C5)F
InChI
InChI=1S/C22H15F2N5/c23-16-6-3-5-15(11-16)22-25-20-9-1-2-10-21(20)28(22)13-18-14-29(27-26-18)19-8-4-7-17(24)12-19/h1-12,14H,13H2
InChIKey
LUZHTXYBQCULIW-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)-1-[[1-(3-fluorophenyl)triazol-4-yl]methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.12955 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.13683 190.4
[M+Na]+ 410.11877 202.6
[M-H]- 386.12227 196.8
[M+NH4]+ 405.16337 199.3
[M+K]+ 426.09271 192.9
[M+H-H2O]+ 370.12681 176.0
[M+HCOO]- 432.12775 208.0
[M+CH3COO]- 446.14340 200.0
[M+Na-2H]- 408.10422 190.8
[M]+ 387.12900 191.3
[M]- 387.13010 191.3
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.