CID 146167572

2387496-31-1

Structural Information

Molecular Formula

C₁₃H₁₁N₅O₃

SMILES

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N=[N+]=[N-]

InChI

InChI=1S/C13H11N5O3/c14-17-16-9-3-1-2-7-8(9)6-18(13(7)21)10-4-5-11(19)15-12(10)20/h1-3,10H,4-6H2,(H,15,19,20)

InChIKey

WOXBJNSSKUJQOQ-UHFFFAOYSA-N

Compound name

3-(7-azido-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 285.08618 Da
Monoisotopic Mass: 1.1
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]+	286.093456	160.8
[M+Na]+	308.075398	167.5
[M-H]-	284.078904	167.1
[M+NH4]+	303.120003	175.6
[M+K]+	324.049338	158.4
[M+H-H2O]+	268.083440	156.3
[M+HCOO]-	330.084381	183.8
[M+CH3COO]-	344.100031	200.1
[M+Na-2H]-	306.060846	167.1
[M]+	285.08563142	154.2
[M]-	285.08672858	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe