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 169.7
[M+Na]+ 322.11802 176.2
[M-H]- 298.12152 172.7
[M+NH4]+ 317.16262 185.8
[M+K]+ 338.09196 172.3
[M+H-H2O]+ 282.12606 163.4
[M+HCOO]- 344.12700 188.6
[M+CH3COO]- 358.14265 205.7
[M+Na-2H]- 320.10347 171.9
[M]+ 299.12825 176.7
[M]- 299.12935 176.7
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.