CID 507389

2-(2-fluorophenyl)-4-methoxy-1-(3-methylbut-2-enyl)benzimidazole

Structural Information

Molecular Formula
C19H19FN2O
SMILES
CC(=CCN1C2=C(C(=CC=C2)OC)N=C1C3=CC=CC=C3F)C
InChI
InChI=1S/C19H19FN2O/c1-13(2)11-12-22-16-9-6-10-17(23-3)18(16)21-19(22)14-7-4-5-8-15(14)20/h4-11H,12H2,1-3H3
InChIKey
XVZDSWVDRWAIGZ-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-4-methoxy-1-(3-methylbut-2-enyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.14813 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15541 173.8
[M+Na]+ 333.13735 184.3
[M-H]- 309.14085 178.3
[M+NH4]+ 328.18195 189.2
[M+K]+ 349.11129 178.0
[M+H-H2O]+ 293.14539 164.0
[M+HCOO]- 355.14633 194.1
[M+CH3COO]- 369.16198 208.1
[M+Na-2H]- 331.12280 175.6
[M]+ 310.14758 177.1
[M]- 310.14868 177.1
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.