CID 2789606

N-[2-(1h-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)propanamide

Structural Information

Molecular Formula
C19H21N3O3
SMILES
CC(C(=O)NCCC1=NC2=CC=CC=C2N1)OC3=CC=C(C=C3)OC
InChI
InChI=1S/C19H21N3O3/c1-13(25-15-9-7-14(24-2)8-10-15)19(23)20-12-11-18-21-16-5-3-4-6-17(16)22-18/h3-10,13H,11-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKey
KBMXKHOLXHBXHL-UHFFFAOYSA-N
Compound name
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

339.1583 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.165576 179.5
[M+Na]+ 362.147518 185.9
[M-H]- 338.151024 183.4
[M+NH4]+ 357.192123 191.8
[M+K]+ 378.121458 181.3
[M+H-H2O]+ 322.155560 170.0
[M+HCOO]- 384.156501 199.8
[M+CH3COO]- 398.172151 210.8
[M+Na-2H]- 360.132966 182.9
[M]+ 339.15775142 182.8
[M]- 339.15884858 182.8
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