CID 173689

59635-96-0

Structural Information

Molecular Formula
C27H36N4O2
SMILES
C1CCN(CC1)CC(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)CN4CCCCC4
InChI
InChI=1S/C27H36N4O2/c32-26(20-30-15-3-1-4-16-30)28-24-11-7-22(8-12-24)19-23-9-13-25(14-10-23)29-27(33)21-31-17-5-2-6-18-31/h7-14H,1-6,15-21H2,(H,28,32)(H,29,33)
InChIKey
RTGRJCRSQRIYDI-UHFFFAOYSA-N
Compound name
2-piperidin-1-yl-N-[4-[[4-[(2-piperidin-1-ylacetyl)amino]phenyl]methyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

448.2838 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.291076 209.5
[M+Na]+ 471.273018 206.4
[M-H]- 447.276524 215.8
[M+NH4]+ 466.317623 212.8
[M+K]+ 487.246958 200.4
[M+H-H2O]+ 431.281060 195.7
[M+HCOO]- 493.282001 221.3
[M+CH3COO]- 507.297651 235.5
[M+Na-2H]- 469.258466 207.6
[M]+ 448.28325142 199.4
[M]- 448.28434858 199.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.