CID 723582

N-[2-(1h-benzimidazol-2-yl)ethyl]-3-chlorobenzamide

Structural Information

Molecular Formula
C16H14ClN3O
SMILES
C1=CC=C2C(=C1)NC(=N2)CCNC(=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H14ClN3O/c17-12-5-3-4-11(10-12)16(21)18-9-8-15-19-13-6-1-2-7-14(13)20-15/h1-7,10H,8-9H2,(H,18,21)(H,19,20)
InChIKey
VILVWNPZUYLTPC-UHFFFAOYSA-N
Compound name
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

299.08255 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08983 166.9
[M+Na]+ 322.07177 176.3
[M-H]- 298.07527 170.8
[M+NH4]+ 317.11637 182.0
[M+K]+ 338.04571 168.7
[M+H-H2O]+ 282.07981 158.5
[M+HCOO]- 344.08075 184.2
[M+CH3COO]- 358.09640 178.0
[M+Na-2H]- 320.05722 172.2
[M]+ 299.08200 169.2
[M]- 299.08310 169.2
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

patents stripe