CID 507399

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

Structural Information

Molecular Formula
C19H19FN2O
SMILES
COC1=CC=CC2=C1N=C(N2CC3CCC3)C4=CC=CC=C4F
InChI
InChI=1S/C19H19FN2O/c1-23-17-11-5-10-16-18(17)21-19(14-8-2-3-9-15(14)20)22(16)12-13-6-4-7-13/h2-3,5,8-11,13H,4,6-7,12H2,1H3
InChIKey
HTBUDUMSHZNOMJ-UHFFFAOYSA-N
Compound name
1-(cyclobutylmethyl)-2-(2-fluorophenyl)-4-methoxybenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.14813 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15541 168.4
[M+Na]+ 333.13735 177.4
[M-H]- 309.14085 175.4
[M+NH4]+ 328.18195 177.3
[M+K]+ 349.11129 174.4
[M+H-H2O]+ 293.14539 153.2
[M+HCOO]- 355.14633 187.8
[M+CH3COO]- 369.16198 179.6
[M+Na-2H]- 331.12280 171.0
[M]+ 310.14758 178.7
[M]- 310.14868 178.7
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.