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]+ 230.165176 153.9
[M+Na]+ 252.147118 161.3
[M-H]- 228.150624 155.7
[M+NH4]+ 247.191723 169.9
[M+K]+ 268.121058 155.7
[M+H-H2O]+ 212.155160 144.6
[M+HCOO]- 274.156101 170.5
[M+CH3COO]- 288.171751 164.6
[M+Na-2H]- 250.132566 158.0
[M]+ 229.15735142 150.1
[M]- 229.15844858 150.1
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.