CID 6912220

1-(2'-(alpha-thienoyl)eth-1'-yl)-2-(4''-cinnamylpiperazin-1''-ylmethyl)benzimidazole dimaleate

Structural Information

Molecular Formula
C28H30N4OS
SMILES
C1CN(CCN1C/C=C\C2=CC=CC=C2)CC3=NC4=CC=CC=C4N3CCC(=O)C5=CC=CS5
InChI
InChI=1S/C28H30N4OS/c33-26(27-13-7-21-34-27)14-16-32-25-12-5-4-11-24(25)29-28(32)22-31-19-17-30(18-20-31)15-6-10-23-8-2-1-3-9-23/h1-13,21H,14-20,22H2/b10-6-
InChIKey
ZLUJULISXYVDFF-POHAHGRESA-N
Compound name
3-[2-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]-1-thiophen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.21402 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.22130 215.1
[M+Na]+ 493.20324 221.1
[M-H]- 469.20674 223.1
[M+NH4]+ 488.24784 222.3
[M+K]+ 509.17718 212.4
[M+H-H2O]+ 453.21128 203.7
[M+HCOO]- 515.21222 225.8
[M+CH3COO]- 529.22787 221.7
[M+Na-2H]- 491.18869 209.5
[M]+ 470.21347 216.3
[M]- 470.21457 216.3
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.