CID 6913676

3-(2-((4-cinnamyl-1-piperazinyl)methyl)-1h-benzimidazol-1-yl)-1-(2-furyl)propan-1-one dimaleate

Structural Information

Molecular Formula
C28H30N4O2
SMILES
C1CN(CCN1C/C=C\C2=CC=CC=C2)CC3=NC4=CC=CC=C4N3CCC(=O)C5=CC=CO5
InChI
InChI=1S/C28H30N4O2/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
HMTJIKVWJRSKMY-POHAHGRESA-N
Compound name
1-(furan-2-yl)-3-[2-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.23688 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.24416 212.1
[M+Na]+ 477.22610 216.6
[M-H]- 453.22960 220.2
[M+NH4]+ 472.27070 217.1
[M+K]+ 493.20004 209.6
[M+H-H2O]+ 437.23414 199.0
[M+HCOO]- 499.23508 225.8
[M+CH3COO]- 513.25073 218.6
[M+Na-2H]- 475.21155 208.4
[M]+ 454.23633 212.1
[M]- 454.23743 212.1
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.