CID 507355

1-benzyl-2-(2-fluorophenyl)-4-methoxy-benzimidazole

Structural Information

Molecular Formula
C21H17FN2O
SMILES
COC1=CC=CC2=C1N=C(N2CC3=CC=CC=C3)C4=CC=CC=C4F
InChI
InChI=1S/C21H17FN2O/c1-25-19-13-7-12-18-20(19)23-21(16-10-5-6-11-17(16)22)24(18)14-15-8-3-2-4-9-15/h2-13H,14H2,1H3
InChIKey
QTDKHUKAZSNRGR-UHFFFAOYSA-N
Compound name
1-benzyl-2-(2-fluorophenyl)-4-methoxybenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.13248 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13976 178.7
[M+Na]+ 355.12170 189.4
[M-H]- 331.12520 186.2
[M+NH4]+ 350.16630 192.5
[M+K]+ 371.09564 182.1
[M+H-H2O]+ 315.12974 167.3
[M+HCOO]- 377.13068 200.1
[M+CH3COO]- 391.14633 190.1
[M+Na-2H]- 353.10715 182.6
[M]+ 332.13193 181.2
[M]- 332.13303 181.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.