CID 466084

{2-[2-(4-ethoxy-phenyl)-vinyl]-benzoimidazol-1-ylmethyl}-diethyl-amine

Structural Information

Molecular Formula
C22H27N3O
SMILES
CCN(CC)CN1C2=CC=CC=C2N=C1C=CC3=CC=C(C=C3)OCC
InChI
InChI=1S/C22H27N3O/c1-4-24(5-2)17-25-21-10-8-7-9-20(21)23-22(25)16-13-18-11-14-19(15-12-18)26-6-3/h7-16H,4-6,17H2,1-3H3
InChIKey
ROWOEJWZXWZWGJ-UHFFFAOYSA-N
Compound name
N-[[2-[2-(4-ethoxyphenyl)ethenyl]benzimidazol-1-yl]methyl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.21542 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.22270 188.2
[M+Na]+ 372.20464 195.8
[M-H]- 348.20814 194.4
[M+NH4]+ 367.24924 202.0
[M+K]+ 388.17858 190.1
[M+H-H2O]+ 332.21268 177.7
[M+HCOO]- 394.21362 211.0
[M+CH3COO]- 408.22927 220.5
[M+Na-2H]- 370.19009 190.7
[M]+ 349.21487 194.2
[M]- 349.21597 194.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.