CID 4079537

N,n'-dibenzyladipamide

Structural Information

Molecular Formula
C20H24N2O2
SMILES
C1=CC=C(C=C1)CNC(=O)CCCCC(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C20H24N2O2/c23-19(21-15-17-9-3-1-4-10-17)13-7-8-14-20(24)22-16-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,21,23)(H,22,24)
InChIKey
MFBKELHPKHLNTH-UHFFFAOYSA-N
Compound name
N,N'-dibenzylhexanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

324.18378 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.19106 179.9
[M+Na]+ 347.17300 182.0
[M-H]- 323.17650 185.1
[M+NH4]+ 342.21760 192.5
[M+K]+ 363.14694 177.6
[M+H-H2O]+ 307.18104 170.5
[M+HCOO]- 369.18198 203.1
[M+CH3COO]- 383.19763 212.7
[M+Na-2H]- 345.15845 183.1
[M]+ 324.18323 179.6
[M]- 324.18433 179.6
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

patents stripe