CID 202533

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

Structural Information

Molecular Formula
C34H42N4O2
SMILES
CN1CCC(CC1)(CNC(=O)C2=CC=C(C=C2)C(=O)NCC3(CCN(CC3)C)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C34H42N4O2/c1-37-21-17-33(18-22-37,29-9-5-3-6-10-29)25-35-31(39)27-13-15-28(16-14-27)32(40)36-26-34(19-23-38(2)24-20-34)30-11-7-4-8-12-30/h3-16H,17-26H2,1-2H3,(H,35,39)(H,36,40)
InChIKey
BKFVYAAIYUVENJ-UHFFFAOYSA-N
Compound name
1-N,4-N-bis[(1-methyl-4-phenylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.33075 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.33803 233.9
[M+Na]+ 561.31997 232.1
[M-H]- 537.32347 243.1
[M+NH4]+ 556.36457 237.0
[M+K]+ 577.29391 225.6
[M+H-H2O]+ 521.32801 218.2
[M+HCOO]- 583.32895 244.3
[M+CH3COO]- 597.34460 236.4
[M+Na-2H]- 559.30542 232.0
[M]+ 538.33020 224.4
[M]- 538.33130 224.4
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.