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]+ 352.165576 183.8
[M+Na]+ 374.147518 191.3
[M-H]- 350.151024 187.8
[M+NH4]+ 369.192123 195.9
[M+K]+ 390.121458 185.3
[M+H-H2O]+ 334.155560 174.2
[M+HCOO]- 396.156501 204.9
[M+CH3COO]- 410.172151 212.7
[M+Na-2H]- 372.132966 186.9
[M]+ 351.15775142 187.5
[M]- 351.15884858 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.