CID 134780

Pomalidomide

Structural Information

Molecular Formula
C13H11N3O4
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)N
InChI
InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)
InChIKey
UVSMNLNDYGZFPF-UHFFFAOYSA-N
Compound name
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

92
References

22923
Patents

273.07495 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.082226 159.5
[M+Na]+ 296.064168 168.5
[M-H]- 272.067674 163.3
[M+NH4]+ 291.108773 174.7
[M+K]+ 312.038108 163.6
[M+H-H2O]+ 256.072210 152.1
[M+HCOO]- 318.073151 176.6
[M+CH3COO]- 332.088801 198.4
[M+Na-2H]- 294.049616 159.6
[M]+ 273.07440142 155.0
[M]- 273.07549858 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