CID 55179352

2-ethyl-1-(piperidin-3-yl)-1h-1,3-benzodiazole dihydrochloride

Structural Information

Molecular Formula
C14H19N3
SMILES
CCC1=NC2=CC=CC=C2N1C3CCCNC3
InChI
InChI=1S/C14H19N3/c1-2-14-16-12-7-3-4-8-13(12)17(14)11-6-5-9-15-10-11/h3-4,7-8,11,15H,2,5-6,9-10H2,1H3
InChIKey
JBOPYLDFNZTWLO-UHFFFAOYSA-N
Compound name
2-ethyl-1-piperidin-3-ylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1579 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.16518 154.1
[M+Na]+ 252.14712 167.7
[M+NH4]+ 247.19172 162.8
[M+K]+ 268.12106 161.6
[M-H]- 228.15062 157.1
[M+Na-2H]- 250.13257 161.0
[M]+ 229.15735 156.8
[M]- 229.15845 156.8
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.