CID 2066617

Chembl3233082

Structural Information

Molecular Formula
C17H16ClN3O2
SMILES
C1=CC=C2C(=C1)NC(=N2)CCNC(=O)COC3=CC=CC=C3Cl
InChI
InChI=1S/C17H16ClN3O2/c18-12-5-1-4-8-15(12)23-11-17(22)19-10-9-16-20-13-6-2-3-7-14(13)21-16/h1-8H,9-11H2,(H,19,22)(H,20,21)
InChIKey
YPRUYVFDUSSJDN-UHFFFAOYSA-N
Compound name
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

329.0931 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.10038 174.8
[M+Na]+ 352.08232 189.1
[M+NH4]+ 347.12692 182.2
[M+K]+ 368.05626 182.6
[M-H]- 328.08582 178.0
[M+Na-2H]- 350.06777 182.5
[M]+ 329.09255 178.0
[M]- 329.09365 178.0
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

patents stripe