CID 459455

2-undecyl-1h-benzimidazole

Structural Information

Molecular Formula
C18H28N2
SMILES
CCCCCCCCCCCC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C18H28N2/c1-2-3-4-5-6-7-8-9-10-15-18-19-16-13-11-12-14-17(16)20-18/h11-14H,2-10,15H2,1H3,(H,19,20)
InChIKey
GFKNPGTWLJFDKJ-UHFFFAOYSA-N
Compound name
2-undecyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

385
Patents

272.22525 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.23253 169.6
[M+Na]+ 295.21447 176.0
[M-H]- 271.21797 169.0
[M+NH4]+ 290.25907 185.7
[M+K]+ 311.18841 169.9
[M+H-H2O]+ 255.22251 161.1
[M+HCOO]- 317.22345 189.1
[M+CH3COO]- 331.23910 199.4
[M+Na-2H]- 293.19992 173.2
[M]+ 272.22470 173.1
[M]- 272.22580 173.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe