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]+ 331.140076 175.2
[M+Na]+ 353.122018 180.5
[M-H]- 329.125524 178.3
[M+NH4]+ 348.166623 187.4
[M+K]+ 369.095958 176.3
[M+H-H2O]+ 313.130060 167.2
[M+HCOO]- 375.131001 190.4
[M+CH3COO]- 389.146651 212.8
[M+Na-2H]- 351.107466 173.2
[M]+ 330.13225142 169.4
[M]- 330.13334858 169.4
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

No patent data available for this compound.