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]+ 449.29108 209.5
[M+Na]+ 471.27302 206.4
[M-H]- 447.27652 215.8
[M+NH4]+ 466.31762 212.8
[M+K]+ 487.24696 200.4
[M+H-H2O]+ 431.28106 195.7
[M+HCOO]- 493.28200 221.3
[M+CH3COO]- 507.29765 235.5
[M+Na-2H]- 469.25847 207.6
[M]+ 448.28325 199.4
[M]- 448.28435 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.