CID 3704992

N(1),n(6)-bis(2-ethyl-6-methylphenyl)hexanediamide

Structural Information

Molecular Formula
C24H32N2O2
SMILES
CCC1=CC=CC(=C1NC(=O)CCCCC(=O)NC2=C(C=CC=C2CC)C)C
InChI
InChI=1S/C24H32N2O2/c1-5-19-13-9-11-17(3)23(19)25-21(27)15-7-8-16-22(28)26-24-18(4)12-10-14-20(24)6-2/h9-14H,5-8,15-16H2,1-4H3,(H,25,27)(H,26,28)
InChIKey
MEAXIALDPXFKPF-UHFFFAOYSA-N
Compound name
N,N'-bis(2-ethyl-6-methylphenyl)hexanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.24637 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.253646 198.3
[M+Na]+ 403.235588 202.4
[M-H]- 379.239094 204.3
[M+NH4]+ 398.280193 209.8
[M+K]+ 419.209528 197.5
[M+H-H2O]+ 363.243630 189.0
[M+HCOO]- 425.244571 220.0
[M+CH3COO]- 439.260221 229.6
[M+Na-2H]- 401.221036 196.4
[M]+ 380.24582142 201.0
[M]- 380.24691858 201.0
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.