CID 466081

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

Structural Information

Molecular Formula
C20H22ClN3
SMILES
CCN(CC)CN1C2=CC=CC=C2N=C1C=CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H22ClN3/c1-3-23(4-2)15-24-19-8-6-5-7-18(19)22-20(24)14-11-16-9-12-17(21)13-10-16/h5-14H,3-4,15H2,1-2H3
InChIKey
JKYQRGSJRLESIW-UHFFFAOYSA-N
Compound name
N-[[2-[2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]methyl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.15024 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15752 183.6
[M+Na]+ 362.13946 193.1
[M-H]- 338.14296 189.7
[M+NH4]+ 357.18406 198.8
[M+K]+ 378.11340 185.5
[M+H-H2O]+ 322.14750 173.8
[M+HCOO]- 384.14844 202.2
[M+CH3COO]- 398.16409 194.6
[M+Na-2H]- 360.12491 186.5
[M]+ 339.14969 189.7
[M]- 339.15079 189.7
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.