CID 166545874

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

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

9
Patents

403.11795 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.12523 192.9
[M+Na]+ 426.10717 199.0
[M-H]- 402.11067 195.3
[M+NH4]+ 421.15177 200.4
[M+K]+ 442.08111 193.3
[M+H-H2O]+ 386.11521 183.0
[M+HCOO]- 448.11615 199.8
[M+CH3COO]- 462.13180 220.4
[M+Na-2H]- 424.09262 186.4
[M]+ 403.11740 185.4
[M]- 403.11850 185.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe