CID 4597997

N(1),n(6)-bis(4-butylphenyl)hexanediamide

Structural Information

Molecular Formula
C26H36N2O2
SMILES
CCCCC1=CC=C(C=C1)NC(=O)CCCCC(=O)NC2=CC=C(C=C2)CCCC
InChI
InChI=1S/C26H36N2O2/c1-3-5-9-21-13-17-23(18-14-21)27-25(29)11-7-8-12-26(30)28-24-19-15-22(16-20-24)10-6-4-2/h13-20H,3-12H2,1-2H3,(H,27,29)(H,28,30)
InChIKey
FJEBXMCCUQWXKT-UHFFFAOYSA-N
Compound name
N,N'-bis(4-butylphenyl)hexanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.27768 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.28496 208.1
[M+Na]+ 431.26690 218.1
[M+NH4]+ 426.31150 213.7
[M+K]+ 447.24084 209.2
[M-H]- 407.27040 212.4
[M+Na-2H]- 429.25235 213.6
[M]+ 408.27713 210.5
[M]- 408.27823 210.5
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.