CID 1486276

N,n'-bis(2-chlorophenyl)propanediamide

Structural Information

Molecular Formula
C15H12Cl2N2O2
SMILES
C1=CC=C(C(=C1)NC(=O)CC(=O)NC2=CC=CC=C2Cl)Cl
InChI
InChI=1S/C15H12Cl2N2O2/c16-10-5-1-3-7-12(10)18-14(20)9-15(21)19-13-8-4-2-6-11(13)17/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKey
RFCMRQCFUIALCR-UHFFFAOYSA-N
Compound name
N,N'-bis(2-chlorophenyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

322.0276 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.03488 170.4
[M+Na]+ 345.01682 178.0
[M-H]- 321.02032 176.4
[M+NH4]+ 340.06142 185.2
[M+K]+ 360.99076 171.6
[M+H-H2O]+ 305.02486 164.2
[M+HCOO]- 367.02580 185.8
[M+CH3COO]- 381.04145 208.1
[M+Na-2H]- 343.00227 173.5
[M]+ 322.02705 173.1
[M]- 322.02815 173.1
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