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: 0
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]+	222.112476	148.3
[M+Na]+	244.094418	155.6
[M-H]-	220.097924	152.1
[M+NH4]+	239.139023	166.7
[M+K]+	260.068358	153.9
[M+H-H2O]+	204.102460	141.8
[M+HCOO]-	266.103401	173.0
[M+CH3COO]-	280.119051	192.1
[M+Na-2H]-	242.079866	152.6
[M]+	221.10465142	151.5
[M]-	221.10574858	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe