CID 52943

74169-70-3

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₃

SMILES

CCNC(=O)CN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C12H12N2O3/c1-2-13-10(15)7-14-11(16)8-5-3-4-6-9(8)12(14)17/h3-6H,2,7H2,1H3,(H,13,15)

InChIKey

UKUUGNZWUVOVHB-UHFFFAOYSA-N

Compound name

2-(1,3-dioxoisoindol-2-yl)-N-ethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 232.0848 Da
Monoisotopic Mass: 1.0
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]+	233.092076	149.3
[M+Na]+	255.074018	158.0
[M-H]-	231.077524	152.9
[M+NH4]+	250.118623	168.7
[M+K]+	271.047958	155.1
[M+H-H2O]+	215.082060	142.8
[M+HCOO]-	277.083001	172.0
[M+CH3COO]-	291.098651	193.0
[M+Na-2H]-	253.059466	152.9
[M]+	232.08425142	150.8
[M]-	232.08534858	150.8

Literature stripe

literature stripe

Patent stripe

patents stripe