CID 9317164

2-chloro-n-[(3,4-dimethoxyphenyl)methyl]-n-ethylacetamide

Structural Information

Molecular Formula
C13H18ClNO3
SMILES
CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)CCl
InChI
InChI=1S/C13H18ClNO3/c1-4-15(13(16)8-14)9-10-5-6-11(17-2)12(7-10)18-3/h5-7H,4,8-9H2,1-3H3
InChIKey
MCJIAIWOYWHMIU-UHFFFAOYSA-N
Compound name
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.09753 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.104806 160.0
[M+Na]+ 294.086748 167.6
[M-H]- 270.090254 165.0
[M+NH4]+ 289.131353 178.0
[M+K]+ 310.060688 165.6
[M+H-H2O]+ 254.094790 154.0
[M+HCOO]- 316.095731 180.2
[M+CH3COO]- 330.111381 203.1
[M+Na-2H]- 292.072196 162.6
[M]+ 271.09698142 167.7
[M]- 271.09807858 167.7
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.