CID 5743568

5-hydroxythalidomide

Structural Information

Molecular Formula
C13H10N2O5
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)O
InChI
InChI=1S/C13H10N2O5/c16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18/h1-2,5,9,16H,3-4H2,(H,14,17,18)
InChIKey
LJBQRRQTZUJWRC-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

534
Patents

274.05896 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.06624 158.2
[M+Na]+ 297.04818 167.6
[M-H]- 273.05168 161.2
[M+NH4]+ 292.09278 173.3
[M+K]+ 313.02212 162.8
[M+H-H2O]+ 257.05622 151.3
[M+HCOO]- 319.05716 173.6
[M+CH3COO]- 333.07281 193.7
[M+Na-2H]- 295.03363 158.5
[M]+ 274.05841 155.0
[M]- 274.05951 155.0
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