CID 19688389

Schembl8535460

Structural Information

Molecular Formula

C₁₄H₁₇NO₅

SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)COC)C(=O)COC

InChI

InChI=1S/C14H17NO5/c1-9(16)15-12-6-10(13(17)7-19-2)4-5-11(12)14(18)8-20-3/h4-6H,7-8H2,1-3H3,(H,15,16)

InChIKey

YSVBDNDWEVLZCU-UHFFFAOYSA-N

Compound name

N-[2,5-bis(2-methoxyacetyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 279.1107 Da
Monoisotopic Mass: 0.8
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]+	280.117976	161.7
[M+Na]+	302.099918	167.7
[M-H]-	278.103424	165.2
[M+NH4]+	297.144523	177.2
[M+K]+	318.073858	167.1
[M+H-H2O]+	262.107960	154.6
[M+HCOO]-	324.108901	184.3
[M+CH3COO]-	338.124551	203.4
[M+Na-2H]-	300.085366	162.7
[M]+	279.11015142	166.6
[M]-	279.11124858	166.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe