CID 4204907

N(1),n(6)-bis(3-chloro-4-methylphenyl)hexanediamide

Structural Information

Molecular Formula
C20H22Cl2N2O2
SMILES
CC1=C(C=C(C=C1)NC(=O)CCCCC(=O)NC2=CC(=C(C=C2)C)Cl)Cl
InChI
InChI=1S/C20H22Cl2N2O2/c1-13-7-9-15(11-17(13)21)23-19(25)5-3-4-6-20(26)24-16-10-8-14(2)18(22)12-16/h7-12H,3-6H2,1-2H3,(H,23,25)(H,24,26)
InChIKey
KDUNDRLGWWASQF-UHFFFAOYSA-N
Compound name
N,N'-bis(3-chloro-4-methylphenyl)hexanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.10583 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.11311 193.3
[M+Na]+ 415.09505 206.7
[M+NH4]+ 410.13965 200.3
[M+K]+ 431.06899 197.9
[M-H]- 391.09855 197.7
[M+Na-2H]- 413.08050 199.8
[M]+ 392.10528 197.0
[M]- 392.10638 197.0
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.