CID 2386146

N,n'-bis(3-chloro-4-methoxyphenyl)propanediamide

Structural Information

Molecular Formula
C17H16Cl2N2O4
SMILES
COC1=C(C=C(C=C1)NC(=O)CC(=O)NC2=CC(=C(C=C2)OC)Cl)Cl
InChI
InChI=1S/C17H16Cl2N2O4/c1-24-14-5-3-10(7-12(14)18)20-16(22)9-17(23)21-11-4-6-15(25-2)13(19)8-11/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKey
QPSPPCRLTQQGLM-UHFFFAOYSA-N
Compound name
N,N'-bis(3-chloro-4-methoxyphenyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

382.0487 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.055976 183.9
[M+Na]+ 405.037918 192.0
[M-H]- 381.041424 190.5
[M+NH4]+ 400.082523 196.8
[M+K]+ 421.011858 187.0
[M+H-H2O]+ 365.045960 177.4
[M+HCOO]- 427.046901 199.1
[M+CH3COO]- 441.062551 220.7
[M+Na-2H]- 403.023366 184.9
[M]+ 382.04815142 191.0
[M]- 382.04924858 191.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe