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

4
Patents

382.0487 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.05598 183.9
[M+Na]+ 405.03792 192.0
[M-H]- 381.04142 190.5
[M+NH4]+ 400.08252 196.8
[M+K]+ 421.01186 187.0
[M+H-H2O]+ 365.04596 177.4
[M+HCOO]- 427.04690 199.1
[M+CH3COO]- 441.06255 220.7
[M+Na-2H]- 403.02337 184.9
[M]+ 382.04815 191.0
[M]- 382.04925 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