CID 3575473

N(1),n(6)-bis(2,4-dichlorophenyl)hexanediamide

Structural Information

Molecular Formula
C18H16Cl4N2O2
SMILES
C1=CC(=C(C=C1Cl)Cl)NC(=O)CCCCC(=O)NC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C18H16Cl4N2O2/c19-11-5-7-15(13(21)9-11)23-17(25)3-1-2-4-18(26)24-16-8-6-12(20)10-14(16)22/h5-10H,1-4H2,(H,23,25)(H,24,26)
InChIKey
UZUNMXKLSLBCEC-UHFFFAOYSA-N
Compound name
N,N'-bis(2,4-dichlorophenyl)hexanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.99658 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.00386 197.5
[M+Na]+ 454.98580 211.0
[M+NH4]+ 450.03040 204.1
[M+K]+ 470.95974 201.6
[M-H]- 430.98930 200.7
[M+Na-2H]- 452.97125 203.3
[M]+ 431.99603 201.3
[M]- 431.99713 201.3
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.