CID 4605894

62871-18-5

Structural Information

Molecular Formula
C17H17ClN2O
SMILES
CCCCOC1=C(C=C(C=C1)Cl)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C17H17ClN2O/c1-2-3-10-21-16-9-8-12(18)11-13(16)17-19-14-6-4-5-7-15(14)20-17/h4-9,11H,2-3,10H2,1H3,(H,19,20)
InChIKey
LUSUIYPWXBTHMA-UHFFFAOYSA-N
Compound name
2-(2-butoxy-5-chlorophenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.10294 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.11022 169.0
[M+Na]+ 323.09216 185.7
[M+NH4]+ 318.13676 177.9
[M+K]+ 339.06610 177.7
[M-H]- 299.09566 172.9
[M+Na-2H]- 321.07761 177.6
[M]+ 300.10239 173.0
[M]- 300.10349 173.0
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.