CID 46886069

Chembl1092614

Structural Information

Molecular Formula
C20H22N4O
SMILES
C1CCN(CC1)CC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C20H22N4O/c25-19(14-24-12-4-1-5-13-24)21-16-10-8-15(9-11-16)20-22-17-6-2-3-7-18(17)23-20/h2-3,6-11H,1,4-5,12-14H2,(H,21,25)(H,22,23)
InChIKey
OSZMBXLYQQWHBX-UHFFFAOYSA-N
Compound name
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.17935 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.186626 178.2
[M+Na]+ 357.168568 183.1
[M-H]- 333.172074 182.8
[M+NH4]+ 352.213173 188.6
[M+K]+ 373.142508 176.0
[M+H-H2O]+ 317.176610 167.0
[M+HCOO]- 379.177551 194.4
[M+CH3COO]- 393.193201 186.5
[M+Na-2H]- 355.154016 181.4
[M]+ 334.17880142 173.2
[M]- 334.17989858 173.2
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.