CID 121439731

1957235-61-8

Structural Information

Molecular Formula
C15H15N3O5
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCO
InChI
InChI=1S/C15H15N3O5/c19-7-6-16-9-3-1-2-8-12(9)15(23)18(14(8)22)10-4-5-11(20)17-13(10)21/h1-3,10,16,19H,4-7H2,(H,17,20,21)
InChIKey
UBVMFCZPHRGQMH-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-3-yl)-4-(2-hydroxyethylamino)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

317.10117 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.108446 170.1
[M+Na]+ 340.090388 177.5
[M-H]- 316.093894 172.6
[M+NH4]+ 335.134993 182.9
[M+K]+ 356.064328 172.4
[M+H-H2O]+ 300.098430 162.4
[M+HCOO]- 362.099371 185.8
[M+CH3COO]- 376.115021 205.1
[M+Na-2H]- 338.075836 170.1
[M]+ 317.10062142 166.9
[M]- 317.10171858 166.9
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