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]+ 365.08180 184.0
[M+Na]+ 387.06374 190.2
[M-H]- 363.06724 189.4
[M+NH4]+ 382.10834 197.1
[M+K]+ 403.03768 183.2
[M+H-H2O]+ 347.07178 177.1
[M+HCOO]- 409.07272 198.3
[M+CH3COO]- 423.08837 216.8
[M+Na-2H]- 385.04919 185.5
[M]+ 364.07397 187.7
[M]- 364.07507 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.