CID 1240160

N,n'-bis(3,5-dichlorophenyl)propanediamide

Structural Information

Molecular Formula
C15H10Cl4N2O2
SMILES
C1=C(C=C(C=C1Cl)Cl)NC(=O)CC(=O)NC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C15H10Cl4N2O2/c16-8-1-9(17)4-12(3-8)20-14(22)7-15(23)21-13-5-10(18)2-11(19)6-13/h1-6H,7H2,(H,20,22)(H,21,23)
InChIKey
HTPQMIJQFRJNLH-UHFFFAOYSA-N
Compound name
N,N'-bis(3,5-dichlorophenyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.94965 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.95693 181.7
[M+Na]+ 412.93887 190.4
[M-H]- 388.94237 185.2
[M+NH4]+ 407.98347 194.1
[M+K]+ 428.91281 183.6
[M+H-H2O]+ 372.94691 177.3
[M+HCOO]- 434.94785 186.0
[M+CH3COO]- 448.96350 219.9
[M+Na-2H]- 410.92432 181.1
[M]+ 389.94910 184.9
[M]- 389.95020 184.9
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

patents stripe