CID 3056963

73927-00-1

Structural Information

Molecular Formula

C₁₄H₁₅N₃O₂

SMILES

C1CC(=O)N(C1=O)CNC2=CC3=CC=CC=C3NC2

InChI

InChI=1S/C14H15N3O2/c18-13-5-6-14(19)17(13)9-16-11-7-10-3-1-2-4-12(10)15-8-11/h1-4,7,15-16H,5-6,8-9H2

InChIKey

SFJFXJLEUGTYTN-UHFFFAOYSA-N

Compound name

1-[(1,2-dihydroquinolin-3-ylamino)methyl]pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 257.11642 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]+	258.123696	157.3
[M+Na]+	280.105638	164.0
[M-H]-	256.109144	160.6
[M+NH4]+	275.150243	173.0
[M+K]+	296.079578	158.8
[M+H-H2O]+	240.113680	148.8
[M+HCOO]-	302.114621	175.6
[M+CH3COO]-	316.130271	167.9
[M+Na-2H]-	278.091086	160.8
[M]+	257.11587142	152.8
[M]-	257.11696858	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.