CID 3062182

Butanamide, 4-chloro-n-((2,3-dimethoxyphenyl)methyl)-

Structural Information

Molecular Formula
C13H18ClNO3
SMILES
COC1=CC=CC(=C1OC)CNC(=O)CCCCl
InChI
InChI=1S/C13H18ClNO3/c1-17-11-6-3-5-10(13(11)18-2)9-15-12(16)7-4-8-14/h3,5-6H,4,7-9H2,1-2H3,(H,15,16)
InChIKey
QZVKJPWFQYCPJL-UHFFFAOYSA-N
Compound name
4-chloro-N-[(2,3-dimethoxyphenyl)methyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.09753 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10481 160.0
[M+Na]+ 294.08675 171.7
[M+NH4]+ 289.13135 167.2
[M+K]+ 310.06069 164.9
[M-H]- 270.09025 161.6
[M+Na-2H]- 292.07220 165.2
[M]+ 271.09698 162.2
[M]- 271.09808 162.2
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.