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]+ 460.27071 212.4
[M+Na]+ 482.25265 214.6
[M-H]- 458.25615 218.1
[M+NH4]+ 477.29725 216.8
[M+K]+ 498.22659 207.6
[M+H-H2O]+ 442.26069 198.4
[M+HCOO]- 504.26163 222.2
[M+CH3COO]- 518.27728 217.2
[M+Na-2H]- 480.23810 206.3
[M]+ 459.26288 208.8
[M]- 459.26398 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.