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]+ 335.18663 178.2
[M+Na]+ 357.16857 183.1
[M-H]- 333.17207 182.8
[M+NH4]+ 352.21317 188.6
[M+K]+ 373.14251 176.0
[M+H-H2O]+ 317.17661 167.0
[M+HCOO]- 379.17755 194.4
[M+CH3COO]- 393.19320 186.5
[M+Na-2H]- 355.15402 181.4
[M]+ 334.17880 173.2
[M]- 334.17990 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.