CID 853078

107249-97-8

Structural Information

Molecular Formula
C17H17N3O3
SMILES
COC1=C(C=C(C=C1)CC(=O)NC2=NC3=CC=CC=C3N2)OC
InChI
InChI=1S/C17H17N3O3/c1-22-14-8-7-11(9-15(14)23-2)10-16(21)20-17-18-12-5-3-4-6-13(12)19-17/h3-9H,10H2,1-2H3,(H2,18,19,20,21)
InChIKey
BHDNCFNMLJKFHV-UHFFFAOYSA-N
Compound name
N-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

311.12698 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13426 172.1
[M+Na]+ 334.11620 185.3
[M+NH4]+ 329.16080 178.5
[M+K]+ 350.09014 180.6
[M-H]- 310.11970 174.8
[M+Na-2H]- 332.10165 179.0
[M]+ 311.12643 174.5
[M]- 311.12753 174.5
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.