CID 508379

1h-benzimidazole, 5,6-dichloro-1-ethyl-2-(4-piperidinyl)-

Structural Information

Molecular Formula
C14H17Cl2N3
SMILES
CCN1C2=CC(=C(C=C2N=C1C3CCNCC3)Cl)Cl
InChI
InChI=1S/C14H17Cl2N3/c1-2-19-13-8-11(16)10(15)7-12(13)18-14(19)9-3-5-17-6-4-9/h7-9,17H,2-6H2,1H3
InChIKey
WNRPKMIMROONNF-UHFFFAOYSA-N
Compound name
5,6-dichloro-1-ethyl-2-piperidin-4-ylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.07996 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.08724 167.7
[M+Na]+ 320.06918 177.7
[M-H]- 296.07268 168.8
[M+NH4]+ 315.11378 182.6
[M+K]+ 336.04312 169.6
[M+H-H2O]+ 280.07722 159.0
[M+HCOO]- 342.07816 174.1
[M+CH3COO]- 356.09381 177.6
[M+Na-2H]- 318.05463 168.7
[M]+ 297.07941 167.5
[M]- 297.08051 167.5
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

No patent data available for this compound.