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 265.2
[M+Na]+ 713.38262 259.8
[M-H]- 689.38612 277.2
[M+NH4]+ 708.42722 260.0
[M+K]+ 729.35656 251.5
[M+H-H2O]+ 673.39066 244.4
[M+HCOO]- 735.39160 272.6
[M+CH3COO]- 749.40725 263.6
[M+Na-2H]- 711.36807 261.8
[M]+ 690.39285 253.1
[M]- 690.39395 253.1
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.