CID 134413720

Thalidomide-piperazine (hydrochloride)

Structural Information

Molecular Formula
C17H18N4O4
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)N4CCNCC4
InChI
InChI=1S/C17H18N4O4/c22-14-4-3-13(15(23)19-14)21-16(24)11-2-1-10(9-12(11)17(21)25)20-7-5-18-6-8-20/h1-2,9,13,18H,3-8H2,(H,19,22,23)
InChIKey
GFCKACFUYUKAPW-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

570
Patents

342.1328 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14008 182.5
[M+Na]+ 365.12202 192.5
[M+NH4]+ 360.16662 186.8
[M+K]+ 381.09596 189.7
[M-H]- 341.12552 183.2
[M+Na-2H]- 363.10747 184.0
[M]+ 342.13225 183.5
[M]- 342.13335 183.5
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