CID 95006

5442-90-0

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₄

SMILES

C1COCCN1C(=O)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C14H14N2O4/c17-12(15-5-7-20-8-6-15)9-16-13(18)10-3-1-2-4-11(10)14(16)19/h1-4H,5-9H2

InChIKey

SFGYIUPSHSHZBW-UHFFFAOYSA-N

Compound name

2-(2-morpholin-4-yl-2-oxoethyl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 0
Patents: 274.09537 Da
Monoisotopic Mass: 0.1
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]+	275.10265	160.3
[M+Na]+	297.08459	167.2
[M-H]-	273.08809	165.4
[M+NH4]+	292.12919	174.8
[M+K]+	313.05853	165.2
[M+H-H2O]+	257.09263	152.1
[M+HCOO]-	319.09357	176.2
[M+CH3COO]-	333.10922	196.2
[M+Na-2H]-	295.07004	162.1
[M]+	274.09482	158.9
[M]-	274.09592	158.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.