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
3
Annotation Hits

0
References

71
Patents

324.18378 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.191056 179.9
[M+Na]+ 347.172998 182.0
[M-H]- 323.176504 185.1
[M+NH4]+ 342.217603 192.5
[M+K]+ 363.146938 177.6
[M+H-H2O]+ 307.181040 170.5
[M+HCOO]- 369.181981 203.1
[M+CH3COO]- 383.197631 212.7
[M+Na-2H]- 345.158446 183.1
[M]+ 324.18323142 179.6
[M]- 324.18432858 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