CID 3056269

Acetamide, n-allyl-2-(3,4-dimethoxyphenyl)-

Structural Information

Molecular Formula
C13H17NO3
SMILES
COC1=C(C=C(C=C1)CC(=O)NCC=C)OC
InChI
InChI=1S/C13H17NO3/c1-4-7-14-13(15)9-10-5-6-11(16-2)12(8-10)17-3/h4-6,8H,1,7,9H2,2-3H3,(H,14,15)
InChIKey
KTTPTZYEJHTOBO-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-N-prop-2-enylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.12085 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.128126 152.9
[M+Na]+ 258.110068 159.9
[M-H]- 234.113574 156.6
[M+NH4]+ 253.154673 170.7
[M+K]+ 274.084008 157.8
[M+H-H2O]+ 218.118110 146.3
[M+HCOO]- 280.119051 177.3
[M+CH3COO]- 294.134701 195.1
[M+Na-2H]- 256.095516 156.7
[M]+ 235.12030142 156.5
[M]- 235.12139858 156.5
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