CID 3062197

Butanamide, 4-chloro-n-((3,4-dimethoxyphenyl)methyl)-

Structural Information

Molecular Formula
C13H18ClNO3
SMILES
COC1=C(C=C(C=C1)CNC(=O)CCCCl)OC
InChI
InChI=1S/C13H18ClNO3/c1-17-11-6-5-10(8-12(11)18-2)9-15-13(16)4-3-7-14/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,16)
InChIKey
PSSVRJGIOZTFEM-UHFFFAOYSA-N
Compound name
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.09753 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.104806 160.4
[M+Na]+ 294.086748 167.8
[M-H]- 270.090254 163.8
[M+NH4]+ 289.131353 177.7
[M+K]+ 310.060688 164.4
[M+H-H2O]+ 254.094790 154.5
[M+HCOO]- 316.095731 180.0
[M+CH3COO]- 330.111381 199.7
[M+Na-2H]- 292.072196 163.7
[M]+ 271.09698142 166.7
[M]- 271.09807858 166.7
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.