CID 3062185

2-chloro-n-((2-ethoxy-3-methoxyphenyl)methyl)propanamide

Structural Information

Molecular Formula
C13H18ClNO3
SMILES
CCOC1=C(C=CC=C1OC)CNC(=O)C(C)Cl
InChI
InChI=1S/C13H18ClNO3/c1-4-18-12-10(6-5-7-11(12)17-3)8-15-13(16)9(2)14/h5-7,9H,4,8H2,1-3H3,(H,15,16)
InChIKey
SVYJPDRXBGSFMD-UHFFFAOYSA-N
Compound name
2-chloro-N-[(2-ethoxy-3-methoxyphenyl)methyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.09753 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10481 160.0
[M+Na]+ 294.08675 171.4
[M+NH4]+ 289.13135 167.1
[M+K]+ 310.06069 165.4
[M-H]- 270.09025 161.4
[M+Na-2H]- 292.07220 164.9
[M]+ 271.09698 162.1
[M]- 271.09808 162.1
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.