CID 3045595

1-piperazineacetamide, n-cyclopentyl-4-((1-(3-oxo-3-phenylpropyl)-1h-benzimidazol-2-yl)methyl)-, (z)-2-butenedioate (1:2)

Structural Information

Molecular Formula
C28H35N5O2
SMILES
C1CCC(C1)NC(=O)CN2CCN(CC2)CC3=NC4=CC=CC=C4N3CCC(=O)C5=CC=CC=C5
InChI
InChI=1S/C28H35N5O2/c34-26(22-8-2-1-3-9-22)14-15-33-25-13-7-6-12-24(25)30-27(33)20-31-16-18-32(19-17-31)21-28(35)29-23-10-4-5-11-23/h1-3,6-9,12-13,23H,4-5,10-11,14-21H2,(H,29,35)
InChIKey
YRAGXDNZFCWIAY-UHFFFAOYSA-N
Compound name
N-cyclopentyl-2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.27908 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.28636 213.8
[M+Na]+ 496.26830 214.7
[M-H]- 472.27180 220.7
[M+NH4]+ 491.31290 218.8
[M+K]+ 512.24224 207.9
[M+H-H2O]+ 456.27634 200.5
[M+HCOO]- 518.27728 225.8
[M+CH3COO]- 532.29293 218.6
[M+Na-2H]- 494.25375 208.7
[M]+ 473.27853 209.6
[M]- 473.27963 209.6
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.