CID 134413827

2222114-23-8

Structural Information

Molecular Formula

C₁₇H₁₇FN₄O₄

SMILES

C1CC(=O)NC(=O)C1N2C(=O)C3=CC(=C(C=C3C2=O)F)N4CCNCC4

InChI

InChI=1S/C17H17FN4O4/c18-11-7-9-10(8-13(11)21-5-3-19-4-6-21)17(26)22(16(9)25)12-1-2-14(23)20-15(12)24/h7-8,12,19H,1-6H2,(H,20,23,24)

InChIKey

YNGDWIBEYDEYGU-UHFFFAOYSA-N

Compound name

2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperazin-1-ylisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 123
Patents: 360.12338 Da
Monoisotopic Mass: -0.1
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]+	361.130656	187.3
[M+Na]+	383.112598	194.0
[M-H]-	359.116104	188.2
[M+NH4]+	378.157203	195.2
[M+K]+	399.086538	186.7
[M+H-H2O]+	343.120640	176.2
[M+HCOO]-	405.121581	194.0
[M+CH3COO]-	419.137231	193.8
[M+Na-2H]-	381.098046	182.4
[M]+	360.12283142	177.5
[M]-	360.12392858	177.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe