CID 5426

Thalidomide

Structural Information

Molecular Formula
C13H10N2O4
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)
InChIKey
UEJJHQNACJXSKW-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

12122
References

90720
Patents

258.06406 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07134 155.1
[M+Na]+ 281.05328 164.2
[M-H]- 257.05678 159.0
[M+NH4]+ 276.09788 171.3
[M+K]+ 297.02722 159.5
[M+H-H2O]+ 241.06132 147.7
[M+HCOO]- 303.06226 171.9
[M+CH3COO]- 317.07791 192.2
[M+Na-2H]- 279.03873 156.2
[M]+ 258.06351 151.8
[M]- 258.06461 151.8
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