CID 25169392

Chembl487219

Structural Information

Molecular Formula
C22H14F3N5
SMILES
C1=CC=C2C(=C1)N=C(N2CC3=CN(N=N3)C4=CC(=C(C=C4)F)F)C5=CC(=CC=C5)F
InChI
InChI=1S/C22H14F3N5/c23-15-5-3-4-14(10-15)22-26-20-6-1-2-7-21(20)29(22)12-16-13-30(28-27-16)17-8-9-18(24)19(25)11-17/h1-11,13H,12H2
InChIKey
GCDVOIQELKPMIN-UHFFFAOYSA-N
Compound name
1-[[1-(3,4-difluorophenyl)triazol-4-yl]methyl]-2-(3-fluorophenyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.12012 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.12740 194.1
[M+Na]+ 428.10934 207.3
[M-H]- 404.11284 199.6
[M+NH4]+ 423.15394 202.5
[M+K]+ 444.08328 197.0
[M+H-H2O]+ 388.11738 179.1
[M+HCOO]- 450.11832 210.6
[M+CH3COO]- 464.13397 203.5
[M+Na-2H]- 426.09479 193.2
[M]+ 405.11957 194.6
[M]- 405.12067 194.6
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.