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

12
Patents

216.16264 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.16992 152.0
[M+Na]+ 239.15186 160.0
[M-H]- 215.15536 152.3
[M+NH4]+ 234.19646 170.4
[M+K]+ 255.12580 155.3
[M+H-H2O]+ 199.15990 144.5
[M+HCOO]- 261.16084 171.9
[M+CH3COO]- 275.17649 188.2
[M+Na-2H]- 237.13731 156.6
[M]+ 216.16209 153.6
[M]- 216.16319 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