CID 507354

1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxy-benzimidazole

Structural Information

Molecular Formula
C23H21FN2O
SMILES
CC1=C(C(=CC=C1)C)CN2C3=C(C(=CC=C3)OC)N=C2C4=CC=CC=C4F
InChI
InChI=1S/C23H21FN2O/c1-15-8-6-9-16(2)18(15)14-26-20-12-7-13-21(27-3)22(20)25-23(26)17-10-4-5-11-19(17)24/h4-13H,14H2,1-3H3
InChIKey
HHDUCEUURNRZIH-UHFFFAOYSA-N
Compound name
1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1638 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.17108 188.8
[M+Na]+ 383.15302 200.4
[M-H]- 359.15652 196.8
[M+NH4]+ 378.19762 202.0
[M+K]+ 399.12696 192.7
[M+H-H2O]+ 343.16106 177.4
[M+HCOO]- 405.16200 209.5
[M+CH3COO]- 419.17765 200.0
[M+Na-2H]- 381.13847 190.1
[M]+ 360.16325 192.8
[M]- 360.16435 192.8
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.