CID 1181186

(e)-n-[2-(1h-benzoimidazol-2-yl)-ethyl]-3-(2,5-dimethoxy-phenyl)-acrylamide

Structural Information

Molecular Formula
C20H21N3O3
SMILES
COC1=CC(=C(C=C1)OC)/C=C/C(=O)NCCC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C20H21N3O3/c1-25-15-8-9-18(26-2)14(13-15)7-10-20(24)21-12-11-19-22-16-5-3-4-6-17(16)23-19/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23)/b10-7+
InChIKey
SXDKGCMVRCIVQC-JXMROGBWSA-N
Compound name
(E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

351.1583 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.16558 183.8
[M+Na]+ 374.14752 191.3
[M-H]- 350.15102 187.8
[M+NH4]+ 369.19212 195.9
[M+K]+ 390.12146 185.3
[M+H-H2O]+ 334.15556 174.2
[M+HCOO]- 396.15650 204.9
[M+CH3COO]- 410.17215 212.7
[M+Na-2H]- 372.13297 186.9
[M]+ 351.15775 187.5
[M]- 351.15885 187.5
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.