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

79
Patents

317.10117 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.10845 170.1
[M+Na]+ 340.09039 177.5
[M-H]- 316.09389 172.6
[M+NH4]+ 335.13499 182.9
[M+K]+ 356.06433 172.4
[M+H-H2O]+ 300.09843 162.4
[M+HCOO]- 362.09937 185.8
[M+CH3COO]- 376.11502 205.1
[M+Na-2H]- 338.07584 170.1
[M]+ 317.10062 166.9
[M]- 317.10172 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