CID 52082

N-allyl-3,4-dimethoxybenzamide

Structural Information

Molecular Formula

C₁₂H₁₅NO₃

SMILES

COC1=C(C=C(C=C1)C(=O)NCC=C)OC

InChI

InChI=1S/C12H15NO3/c1-4-7-13-12(14)9-5-6-10(15-2)11(8-9)16-3/h4-6,8H,1,7H2,2-3H3,(H,13,14)

InChIKey

DISIZJPNVAUNCI-UHFFFAOYSA-N

Compound name

3,4-dimethoxy-N-prop-2-enylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 221.1052 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	222.11248	149.5
[M+Na]+	244.09442	160.7
[M+NH4]+	239.13902	156.3
[M+K]+	260.06836	154.9
[M-H]-	220.09792	150.9
[M+Na-2H]-	242.07987	154.8
[M]+	221.10465	151.2
[M]-	221.10575	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe