CID 202534

Terephthalamide, n,n'-bis(1-benzyl-4-phenyl-4-piperidylmethyl)-

Structural Information

Molecular Formula
C46H50N4O2
SMILES
C1CN(CCC1(CNC(=O)C2=CC=C(C=C2)C(=O)NCC3(CCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)CC7=CC=CC=C7
InChI
InChI=1S/C46H50N4O2/c51-43(47-35-45(41-17-9-3-10-18-41)25-29-49(30-26-45)33-37-13-5-1-6-14-37)39-21-23-40(24-22-39)44(52)48-36-46(42-19-11-4-12-20-42)27-31-50(32-28-46)34-38-15-7-2-8-16-38/h1-24H,25-36H2,(H,47,51)(H,48,52)
InChIKey
HZGBVOSNDBZSBC-UHFFFAOYSA-N
Compound name
1-N,4-N-bis[(1-benzyl-4-phenylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

690.3934 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 691.40068 273.6
[M+Na]+ 713.38262 287.8
[M+NH4]+ 708.42722 281.5
[M+K]+ 729.35656 271.7
[M-H]- 689.38612 287.3
[M+Na-2H]- 711.36807 288.9
[M]+ 690.39285 279.9
[M]- 690.39395 279.9
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.