CID 730454

2',5'-dimethoxypropionanilide

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

CCC(=O)NC1=C(C=CC(=C1)OC)OC

InChI

InChI=1S/C11H15NO3/c1-4-11(13)12-9-7-8(14-2)5-6-10(9)15-3/h5-7H,4H2,1-3H3,(H,12,13)

InChIKey

MMGJOLVHSCZNTA-UHFFFAOYSA-N

Compound name

N-(2,5-dimethoxyphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 209.1052 Da
Monoisotopic Mass: 1.8
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]+	210.112476	145.0
[M+Na]+	232.094418	152.6
[M-H]-	208.097924	149.1
[M+NH4]+	227.139023	164.0
[M+K]+	248.068358	151.7
[M+H-H2O]+	192.102460	138.7
[M+HCOO]-	254.103401	169.9
[M+CH3COO]-	268.119051	189.9
[M+Na-2H]-	230.079866	149.9
[M]+	209.10465142	148.6
[M]-	209.10574858	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe