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]+ 381.25365 198.3
[M+Na]+ 403.23559 202.4
[M-H]- 379.23909 204.3
[M+NH4]+ 398.28019 209.8
[M+K]+ 419.20953 197.5
[M+H-H2O]+ 363.24363 189.0
[M+HCOO]- 425.24457 220.0
[M+CH3COO]- 439.26022 229.6
[M+Na-2H]- 401.22104 196.4
[M]+ 380.24582 201.0
[M]- 380.24692 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.