CID 58827328

2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl]amino}acetic acid hydrochloride

Structural Information

Molecular Formula
C15H13N3O6
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCC(=O)O
InChI
InChI=1S/C15H13N3O6/c19-10-5-4-9(13(22)17-10)18-14(23)7-2-1-3-8(12(7)15(18)24)16-6-11(20)21/h1-3,9,16H,4-6H2,(H,20,21)(H,17,19,22)
InChIKey
LRGLFYOYKPSPJQ-UHFFFAOYSA-N
Compound name
2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

298
Patents

331.08044 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.08772 170.9
[M+Na]+ 354.06966 177.9
[M-H]- 330.07316 173.5
[M+NH4]+ 349.11426 182.8
[M+K]+ 370.04360 173.7
[M+H-H2O]+ 314.07770 163.4
[M+HCOO]- 376.07864 185.9
[M+CH3COO]- 390.09429 207.8
[M+Na-2H]- 352.05511 170.1
[M]+ 331.07989 167.8
[M]- 331.08099 167.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe