CID 45050992

3-(3-chloro-4-methoxyphenyl)-n-(5-chloro-2-methoxyphenyl)propanamide

Structural Information

Molecular Formula
C17H17Cl2NO3
SMILES
COC1=C(C=C(C=C1)Cl)NC(=O)CCC2=CC(=C(C=C2)OC)Cl
InChI
InChI=1S/C17H17Cl2NO3/c1-22-15-6-3-11(9-13(15)19)4-8-17(21)20-14-10-12(18)5-7-16(14)23-2/h3,5-7,9-10H,4,8H2,1-2H3,(H,20,21)
InChIKey
BVWGZIUEOVSXIN-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-methoxyphenyl)-N-(5-chloro-2-methoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.05856 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.06584 177.9
[M+Na]+ 376.04778 187.1
[M-H]- 352.05128 184.3
[M+NH4]+ 371.09238 192.5
[M+K]+ 392.02172 181.2
[M+H-H2O]+ 336.05582 171.6
[M+HCOO]- 398.05676 192.5
[M+CH3COO]- 412.07241 213.9
[M+Na-2H]- 374.03323 179.5
[M]+ 353.05801 185.4
[M]- 353.05911 185.4
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

No patent data available for this compound.