CID 3062195

Propanamide, n-((2-butoxy-3-methoxyphenyl)methyl)-3-chloro-

Structural Information

Molecular Formula
C15H22ClNO3
SMILES
CCCCOC1=C(C=CC=C1OC)CNC(=O)CCCl
InChI
InChI=1S/C15H22ClNO3/c1-3-4-10-20-15-12(6-5-7-13(15)19-2)11-17-14(18)8-9-16/h5-7H,3-4,8-11H2,1-2H3,(H,17,18)
InChIKey
KNBYLZNDMJGNPL-UHFFFAOYSA-N
Compound name
N-[(2-butoxy-3-methoxyphenyl)methyl]-3-chloropropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1288 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13608 169.0
[M+Na]+ 322.11802 180.4
[M+NH4]+ 317.16262 175.9
[M+K]+ 338.09196 173.1
[M-H]- 298.12152 170.5
[M+Na-2H]- 320.10347 173.7
[M]+ 299.12825 171.2
[M]- 299.12935 171.2
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.