CID 166545874

2884557-96-2

Structural Information

Molecular Formula

C₁₉H₁₈FN₃O₆

SMILES

C1CC(=O)NC(=O)C1N2C(=O)C3=CC(=C(C=C3C2=O)F)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C19H18FN3O6/c20-12-7-10-11(8-14(12)22-5-3-9(4-6-22)19(28)29)18(27)23(17(10)26)13-1-2-15(24)21-16(13)25/h7-9,13H,1-6H2,(H,28,29)(H,21,24,25)

InChIKey

WWVIZFKXXRLKCL-UHFFFAOYSA-N

Compound name

1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 403.11795 Da
Monoisotopic Mass: 0.6
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]+	404.125226	192.9
[M+Na]+	426.107168	199.0
[M-H]-	402.110674	195.3
[M+NH4]+	421.151773	200.4
[M+K]+	442.081108	193.3
[M+H-H2O]+	386.115210	183.0
[M+HCOO]-	448.116151	199.8
[M+CH3COO]-	462.131801	220.4
[M+Na-2H]-	424.092616	186.4
[M]+	403.11740142	185.4
[M]-	403.11849858	185.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe