CID 166000286

(2r)-2-amino-n-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1h-isoindol-4-yl]propanamide hydrochloride

Structural Information

Molecular Formula
C16H18N4O4
SMILES
C[C@@H](C(=O)NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O)N
InChI
InChI=1S/C16H18N4O4/c1-8(17)14(22)18-11-4-2-3-9-10(11)7-20(16(9)24)12-5-6-13(21)19-15(12)23/h2-4,8,12H,5-7,17H2,1H3,(H,18,22)(H,19,21,23)/t8-,12?/m0/s1
InChIKey
GCJWUZFCFHODOI-KBPLZSHQSA-N
Compound name
(2S)-2-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1328 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14008 175.4
[M+Na]+ 353.12202 182.5
[M+NH4]+ 348.16662 179.5
[M+K]+ 369.09596 181.5
[M-H]- 329.12552 175.9
[M+Na-2H]- 351.10747 176.1
[M]+ 330.13225 175.7
[M]- 330.13335 175.7
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

No patent data available for this compound.