CID 3062196

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

Structural Information

Molecular Formula
C12H16ClNO3
SMILES
CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)Cl
InChI
InChI=1S/C12H16ClNO3/c1-8(13)12(15)14-7-9-4-5-10(16-2)11(6-9)17-3/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKey
SNOXETBALUKUMT-UHFFFAOYSA-N
Compound name
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

257.08188 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08916 155.5
[M+Na]+ 280.07110 167.1
[M+NH4]+ 275.11570 162.7
[M+K]+ 296.04504 161.4
[M-H]- 256.07460 157.0
[M+Na-2H]- 278.05655 160.7
[M]+ 257.08133 157.7
[M]- 257.08243 157.7
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

patents stripe