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 194.5
[M+Na]+ 454.98580 202.0
[M-H]- 430.98930 197.5
[M+NH4]+ 450.03040 205.3
[M+K]+ 470.95974 194.6
[M+H-H2O]+ 414.99384 189.5
[M+HCOO]- 476.99478 197.9
[M+CH3COO]- 491.01043 227.9
[M+Na-2H]- 452.97125 192.4
[M]+ 431.99603 198.8
[M]- 431.99713 198.8
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.