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]+ 351.066146 179.5
[M+Na]+ 373.048088 186.1
[M-H]- 349.051594 185.1
[M+NH4]+ 368.092693 193.1
[M+K]+ 389.022028 179.4
[M+H-H2O]+ 333.056130 172.8
[M+HCOO]- 395.057071 194.2
[M+CH3COO]- 409.072721 213.9
[M+Na-2H]- 371.033536 181.5
[M]+ 350.05832142 182.8
[M]- 350.05941858 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.