CID 507374

1-[(4-tert-butylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxy-benzimidazole

Structural Information

Molecular Formula
C25H25FN2O
SMILES
CC(C)(C)C1=CC=C(C=C1)CN2C3=C(C(=CC=C3)OC)N=C2C4=CC=CC=C4F
InChI
InChI=1S/C25H25FN2O/c1-25(2,3)18-14-12-17(13-15-18)16-28-21-10-7-11-22(29-4)23(21)27-24(28)19-8-5-6-9-20(19)26/h5-15H,16H2,1-4H3
InChIKey
HXTQMCYTDQXUIZ-UHFFFAOYSA-N
Compound name
1-[(4-tert-butylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1951 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.20238 199.0
[M+Na]+ 411.18432 209.2
[M-H]- 387.18782 206.6
[M+NH4]+ 406.22892 210.9
[M+K]+ 427.15826 201.7
[M+H-H2O]+ 371.19236 187.6
[M+HCOO]- 433.19330 217.3
[M+CH3COO]- 447.20895 209.1
[M+Na-2H]- 409.16977 200.8
[M]+ 388.19455 202.6
[M]- 388.19565 202.6
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.