CID 49995

Benzimidazole, 2-(hept-4-yl)-

Structural Information

Molecular Formula
C14H20N2
SMILES
CCCC(CCC)C1=NC2=CC=CC=C2N1
InChI
InChI=1S/C14H20N2/c1-3-7-11(8-4-2)14-15-12-9-5-6-10-13(12)16-14/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKey
INLLIOFNGWQZIH-UHFFFAOYSA-N
Compound name
2-heptan-4-yl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

216.16264 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.169916 152.0
[M+Na]+ 239.151858 160.0
[M-H]- 215.155364 152.3
[M+NH4]+ 234.196463 170.4
[M+K]+ 255.125798 155.3
[M+H-H2O]+ 199.159900 144.5
[M+HCOO]- 261.160841 171.9
[M+CH3COO]- 275.176491 188.2
[M+Na-2H]- 237.137306 156.6
[M]+ 216.16209142 153.6
[M]- 216.16318858 153.6
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

patents stripe