CID 507360

2-(2-fluorophenyl)-4-methoxy-1-(m-tolylmethyl)benzimidazole

Structural Information

Molecular Formula
C22H19FN2O
SMILES
CC1=CC(=CC=C1)CN2C3=C(C(=CC=C3)OC)N=C2C4=CC=CC=C4F
InChI
InChI=1S/C22H19FN2O/c1-15-7-5-8-16(13-15)14-25-19-11-6-12-20(26-2)21(19)24-22(25)17-9-3-4-10-18(17)23/h3-13H,14H2,1-2H3
InChIKey
AUAQLNQPTZDYJQ-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-4-methoxy-1-[(3-methylphenyl)methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.14813 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15541 183.8
[M+Na]+ 369.13735 195.0
[M-H]- 345.14085 191.6
[M+NH4]+ 364.18195 197.3
[M+K]+ 385.11129 187.4
[M+H-H2O]+ 329.14539 172.4
[M+HCOO]- 391.14633 204.9
[M+CH3COO]- 405.16198 195.1
[M+Na-2H]- 367.12280 186.3
[M]+ 346.14758 187.1
[M]- 346.14868 187.1
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.