CID 44563049

Chembl488081

Structural Information

Molecular Formula
C22H16FN5
SMILES
C1=CC=C(C=C1)N2C=C(N=N2)CN3C4=CC=CC=C4N=C3C5=CC(=CC=C5)F
InChI
InChI=1S/C22H16FN5/c23-17-8-6-7-16(13-17)22-24-20-11-4-5-12-21(20)27(22)14-18-15-28(26-25-18)19-9-2-1-3-10-19/h1-13,15H,14H2
InChIKey
YEFRSHROQLIQKM-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)-1-[(1-phenyltriazol-4-yl)methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.13898 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.14626 186.6
[M+Na]+ 392.12820 198.0
[M-H]- 368.13170 193.9
[M+NH4]+ 387.17280 196.0
[M+K]+ 408.10214 188.7
[M+H-H2O]+ 352.13624 173.0
[M+HCOO]- 414.13718 205.3
[M+CH3COO]- 428.15283 196.5
[M+Na-2H]- 390.11365 188.5
[M]+ 369.13843 187.9
[M]- 369.13953 187.9
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.