CID 44563088

Chembl488078

Structural Information

Molecular Formula
C23H18FN5
SMILES
CC1=CC=C(C=C1)N2C=C(N=N2)CN3C4=CC=CC=C4N=C3C5=CC(=CC=C5)F
InChI
InChI=1S/C23H18FN5/c1-16-9-11-20(12-10-16)29-15-19(26-27-29)14-28-22-8-3-2-7-21(22)25-23(28)17-5-4-6-18(24)13-17/h2-13,15H,14H2,1H3
InChIKey
UFELYOFCRLWSML-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)-1-[[1-(4-methylphenyl)triazol-4-yl]methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.15463 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.16191 192.3
[M+Na]+ 406.14385 204.1
[M-H]- 382.14735 199.9
[M+NH4]+ 401.18845 201.4
[M+K]+ 422.11779 194.6
[M+H-H2O]+ 366.15189 178.7
[M+HCOO]- 428.15283 210.6
[M+CH3COO]- 442.16848 202.0
[M+Na-2H]- 404.12930 192.8
[M]+ 383.15408 194.3
[M]- 383.15518 194.3
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.