CID 718555

N-[2-(1h-benzimidazol-2-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide

Structural Information

Molecular Formula
C19H21N3O2
SMILES
CC1=C(C(=CC=C1)C)OCC(=O)NCCC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C19H21N3O2/c1-13-6-5-7-14(2)19(13)24-12-18(23)20-11-10-17-21-15-8-3-4-9-16(15)22-17/h3-9H,10-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKey
NFASPNPYMDEAHF-UHFFFAOYSA-N
Compound name
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

323.1634 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17068 178.0
[M+Na]+ 346.15262 191.3
[M+NH4]+ 341.19722 184.7
[M+K]+ 362.12656 185.6
[M-H]- 322.15612 181.1
[M+Na-2H]- 344.13807 184.8
[M]+ 323.16285 180.6
[M]- 323.16395 180.6
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