CID 167721371

2-amino-n-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1h-isoindol-5-yl]acetamide hydrochloride

Structural Information

Molecular Formula

C₁₅H₁₄N₄O₅

SMILES

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)CN

InChI

InChI=1S/C15H14N4O5/c16-6-12(21)17-7-1-2-8-9(5-7)15(24)19(14(8)23)10-3-4-11(20)18-13(10)22/h1-2,5,10H,3-4,6,16H2,(H,17,21)(H,18,20,22)

InChIKey

KRKTULAOWITMAB-UHFFFAOYSA-N

Compound name

2-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 330.0964 Da
Monoisotopic Mass: -1.4
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]+	331.103676	172.4
[M+Na]+	353.085618	179.3
[M-H]-	329.089124	175.9
[M+NH4]+	348.130223	184.7
[M+K]+	369.059558	174.9
[M+H-H2O]+	313.093660	164.5
[M+HCOO]-	375.094601	189.2
[M+CH3COO]-	389.110251	212.0
[M+Na-2H]-	351.071066	171.5
[M]+	330.09585142	168.0
[M]-	330.09694858	168.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe