CID 43132166

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.09753 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.104806 159.6
[M+Na]+ 294.086748 167.0
[M-H]- 270.090254 164.7
[M+NH4]+ 289.131353 177.6
[M+K]+ 310.060688 165.5
[M+H-H2O]+ 254.094790 153.9
[M+HCOO]- 316.095731 178.9
[M+CH3COO]- 330.111381 204.0
[M+Na-2H]- 292.072196 161.1
[M]+ 271.09698142 166.8
[M]- 271.09807858 166.8
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.