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]+ 272.10481 160.4
[M+Na]+ 294.08675 167.8
[M-H]- 270.09025 163.8
[M+NH4]+ 289.13135 177.7
[M+K]+ 310.06069 164.4
[M+H-H2O]+ 254.09479 154.5
[M+HCOO]- 316.09573 180.0
[M+CH3COO]- 330.11138 199.7
[M+Na-2H]- 292.07220 163.7
[M]+ 271.09698 166.7
[M]- 271.09808 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.