CID 379850

15234-89-6

Structural Information

Molecular Formula
C34H50N4O2
SMILES
C1CNCCC1(CNC(=O)CCCCCCCCC(=O)NCC2(CCNCC2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C34H50N4O2/c39-31(37-27-33(19-23-35-24-20-33)29-13-7-5-8-14-29)17-11-3-1-2-4-12-18-32(40)38-28-34(21-25-36-26-22-34)30-15-9-6-10-16-30/h5-10,13-16,35-36H,1-4,11-12,17-28H2,(H,37,39)(H,38,40)
InChIKey
ANIYDSNTTRKSGK-UHFFFAOYSA-N
Compound name
N,N'-bis[(4-phenylpiperidin-4-yl)methyl]decanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

546.3934 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.40068 234.4
[M+Na]+ 569.38262 227.8
[M-H]- 545.38612 236.4
[M+NH4]+ 564.42722 235.8
[M+K]+ 585.35656 220.2
[M+H-H2O]+ 529.39066 220.5
[M+HCOO]- 591.39160 241.0
[M+CH3COO]- 605.40725 247.6
[M+Na-2H]- 567.36807 232.2
[M]+ 546.39285 223.1
[M]- 546.39395 223.1
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.