CID 3258521

1h-benzimidazole, 2-[5-chloro-2-(hexyloxy)phenyl]-

Structural Information

Molecular Formula
C19H21ClN2O
SMILES
CCCCCCOC1=C(C=C(C=C1)Cl)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C19H21ClN2O/c1-2-3-4-7-12-23-18-11-10-14(20)13-15(18)19-21-16-8-5-6-9-17(16)22-19/h5-6,8-11,13H,2-4,7,12H2,1H3,(H,21,22)
InChIKey
FHZOYACRIOYMLX-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-hexoxyphenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.13425 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.14153 178.3
[M+Na]+ 351.12347 194.6
[M+NH4]+ 346.16807 186.8
[M+K]+ 367.09741 186.1
[M-H]- 327.12697 182.2
[M+Na-2H]- 349.10892 186.3
[M]+ 328.13370 182.2
[M]- 328.13480 182.2
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.