CID 203804

Terephthalamide, n,n'-bis(4-piperidylmethyl)-, hydrate

Structural Information

Molecular Formula
C32H38N4O2
SMILES
C1CNCCC1(CNC(=O)C2=CC=C(C=C2)C(=O)NCC3(CCNCC3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C32H38N4O2/c37-29(35-23-31(15-19-33-20-16-31)27-7-3-1-4-8-27)25-11-13-26(14-12-25)30(38)36-24-32(17-21-34-22-18-32)28-9-5-2-6-10-28/h1-14,33-34H,15-24H2,(H,35,37)(H,36,38)
InChIKey
OQOHSEFQJOYGPY-UHFFFAOYSA-N
Compound name
1-N,4-N-bis[(4-phenylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.29947 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.30675 222.9
[M+Na]+ 533.28869 219.5
[M-H]- 509.29219 229.2
[M+NH4]+ 528.33329 225.3
[M+K]+ 549.26263 211.9
[M+H-H2O]+ 493.29673 208.2
[M+HCOO]- 555.29767 231.2
[M+CH3COO]- 569.31332 224.5
[M+Na-2H]- 531.27414 223.1
[M]+ 510.29892 208.9
[M]- 510.30002 208.9
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.