CID 466082

Diethyl-[2-(2-p-tolyl-vinyl)-benzoimidazol-1-ylmethyl]-amine

Structural Information

Molecular Formula
C21H25N3
SMILES
CCN(CC)CN1C2=CC=CC=C2N=C1C=CC3=CC=C(C=C3)C
InChI
InChI=1S/C21H25N3/c1-4-23(5-2)16-24-20-9-7-6-8-19(20)22-21(24)15-14-18-12-10-17(3)11-13-18/h6-15H,4-5,16H2,1-3H3
InChIKey
ZTRPKWLCBPEFTN-UHFFFAOYSA-N
Compound name
N-ethyl-N-[[2-[2-(4-methylphenyl)ethenyl]benzimidazol-1-yl]methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.20483 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.21211 180.4
[M+Na]+ 342.19405 188.7
[M-H]- 318.19755 186.8
[M+NH4]+ 337.23865 195.6
[M+K]+ 358.16799 182.6
[M+H-H2O]+ 302.20209 170.3
[M+HCOO]- 364.20303 203.4
[M+CH3COO]- 378.21868 215.6
[M+Na-2H]- 340.17950 183.4
[M]+ 319.20428 184.7
[M]- 319.20538 184.7
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.