CID 52104

73680-49-6

Structural Information

Molecular Formula
C18H18Cl2N2O2
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)CCCCC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C18H18Cl2N2O2/c19-13-5-3-7-15(11-13)21-17(23)9-1-2-10-18(24)22-16-8-4-6-14(20)12-16/h3-8,11-12H,1-2,9-10H2,(H,21,23)(H,22,24)
InChIKey
LXMBVMKKKLUBFC-UHFFFAOYSA-N
Compound name
N,N'-bis(3-chlorophenyl)hexanediamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

364.07452 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.081796 184.0
[M+Na]+ 387.063738 190.2
[M-H]- 363.067244 189.4
[M+NH4]+ 382.108343 197.1
[M+K]+ 403.037678 183.2
[M+H-H2O]+ 347.071780 177.1
[M+HCOO]- 409.072721 198.3
[M+CH3COO]- 423.088371 216.8
[M+Na-2H]- 385.049186 185.5
[M]+ 364.07397142 187.7
[M]- 364.07506858 187.7
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.