CID 3045561

Pyrrolidine, 1-((4-((1-(3-oxo-3-phenylpropyl)-1h-benzimidazol-2-yl)methyl)-1-piperazinyl)acetyl)-

Structural Information

Molecular Formula
C27H33N5O2
SMILES
C1CCN(C1)C(=O)CN2CCN(CC2)CC3=NC4=CC=CC=C4N3CCC(=O)C5=CC=CC=C5
InChI
InChI=1S/C27H33N5O2/c33-25(22-8-2-1-3-9-22)12-15-32-24-11-5-4-10-23(24)28-26(32)20-29-16-18-30(19-17-29)21-27(34)31-13-6-7-14-31/h1-5,8-11H,6-7,12-21H2
InChIKey
MBQQPMZLBPMBSO-UHFFFAOYSA-N
Compound name
3-[2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]benzimidazol-1-yl]-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.26343 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.270706 212.4
[M+Na]+ 482.252648 214.6
[M-H]- 458.256154 218.1
[M+NH4]+ 477.297253 216.8
[M+K]+ 498.226588 207.6
[M+H-H2O]+ 442.260690 198.4
[M+HCOO]- 504.261631 222.2
[M+CH3COO]- 518.277281 217.2
[M+Na-2H]- 480.238096 206.3
[M]+ 459.26288142 208.8
[M]- 459.26397858 208.8
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.