CID 2859218

353793-15-4

Structural Information

Molecular Formula

C₁₉H₂₀N₂O₄

SMILES

CCCOC1=CC=CC=C1N2C(=O)CC(C2=O)N(C3=CC=CC=C3)O

InChI

InChI=1S/C19H20N2O4/c1-2-12-25-17-11-7-6-10-15(17)20-18(22)13-16(19(20)23)21(24)14-8-4-3-5-9-14/h3-11,16,24H,2,12-13H2,1H3

InChIKey

ODOAOKFKVHVLRR-UHFFFAOYSA-N

Compound name

3-(N-hydroxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 1
Patents: 340.1423 Da
Monoisotopic Mass: 3.6
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]+	341.14958	178.4
[M+Na]+	363.13152	184.4
[M-H]-	339.13502	187.0
[M+NH4]+	358.17612	191.5
[M+K]+	379.10546	181.0
[M+H-H2O]+	323.13956	169.0
[M+HCOO]-	385.14050	200.2
[M+CH3COO]-	399.15615	213.4
[M+Na-2H]-	361.11697	178.4
[M]+	340.14175	179.5
[M]-	340.14285	179.5

Literature stripe

literature stripe

Patent stripe

patents stripe