CID 479981

N,n'-bis(3-chlorophenyl)butanediamide

Structural Information

Molecular Formula
C16H14Cl2N2O2
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)CCC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C16H14Cl2N2O2/c17-11-3-1-5-13(9-11)19-15(21)7-8-16(22)20-14-6-2-4-12(18)10-14/h1-6,9-10H,7-8H2,(H,19,21)(H,20,22)
InChIKey
ZMALROPHAZGAJH-UHFFFAOYSA-N
Compound name
N,N'-bis(3-chlorophenyl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

336.04324 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.05052 174.9
[M+Na]+ 359.03246 182.1
[M-H]- 335.03596 180.8
[M+NH4]+ 354.07706 189.2
[M+K]+ 375.00640 175.5
[M+H-H2O]+ 319.04050 168.5
[M+HCOO]- 381.04144 190.0
[M+CH3COO]- 395.05709 211.0
[M+Na-2H]- 357.01791 177.5
[M]+ 336.04269 178.0
[M]- 336.04379 178.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.