CID 10154850

444287-84-7

Structural Information

Molecular Formula

C₁₅H₁₂ClN₃O₅

SMILES

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)CCl

InChI

InChI=1S/C15H12ClN3O5/c16-6-11(21)17-8-3-1-2-7-12(8)15(24)19(14(7)23)9-4-5-10(20)18-13(9)22/h1-3,9H,4-6H2,(H,17,21)(H,18,20,22)

InChIKey

SVSMQAPPCVNXQW-UHFFFAOYSA-N

Compound name

2-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 349.04654 Da
Monoisotopic Mass: 0.7
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]+	350.053816	175.7
[M+Na]+	372.035758	184.3
[M-H]-	348.039264	179.6
[M+NH4]+	367.080363	188.7
[M+K]+	388.009698	178.5
[M+H-H2O]+	332.043800	168.7
[M+HCOO]-	394.044741	187.5
[M+CH3COO]-	408.060391	210.4
[M+Na-2H]-	370.021206	174.5
[M]+	349.04599142	175.0
[M]-	349.04708858	175.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe