CID 2404770

N,n'-bis[(4-chlorophenyl)methyl]propanediamide

Structural Information

Molecular Formula
C17H16Cl2N2O2
SMILES
C1=CC(=CC=C1CNC(=O)CC(=O)NCC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H16Cl2N2O2/c18-14-5-1-12(2-6-14)10-20-16(22)9-17(23)21-11-13-3-7-15(19)8-4-13/h1-8H,9-11H2,(H,20,22)(H,21,23)
InChIKey
GGYWOIPZKODLIC-UHFFFAOYSA-N
Compound name
N,N'-bis[(4-chlorophenyl)methyl]propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

350.05887 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.06615 179.5
[M+Na]+ 373.04809 186.1
[M-H]- 349.05159 185.1
[M+NH4]+ 368.09269 193.1
[M+K]+ 389.02203 179.4
[M+H-H2O]+ 333.05613 172.8
[M+HCOO]- 395.05707 194.2
[M+CH3COO]- 409.07272 213.9
[M+Na-2H]- 371.03354 181.5
[M]+ 350.05832 182.8
[M]- 350.05942 182.8
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.