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 178.2
[M+Na]+ 351.12347 188.0
[M-H]- 327.12697 181.7
[M+NH4]+ 346.16807 192.8
[M+K]+ 367.09741 179.8
[M+H-H2O]+ 311.13151 169.3
[M+HCOO]- 373.13245 194.1
[M+CH3COO]- 387.14810 188.9
[M+Na-2H]- 349.10892 181.5
[M]+ 328.13370 183.7
[M]- 328.13480 183.7
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.