CID 156292580

Thalidomide-5-peg3-nh2 hydrochloride

Structural Information

Molecular Formula
C19H23N3O7
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)OCCOCCOCCN
InChI
InChI=1S/C19H23N3O7/c20-5-6-27-7-8-28-9-10-29-12-1-2-13-14(11-12)19(26)22(18(13)25)15-3-4-16(23)21-17(15)24/h1-2,11,15H,3-10,20H2,(H,21,23,24)
InChIKey
XMTFEXSNGIBNRG-UHFFFAOYSA-N
Compound name
5-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

405.1536 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.16088 194.7
[M+Na]+ 428.14282 202.0
[M+NH4]+ 423.18742 197.2
[M+K]+ 444.11676 200.1
[M-H]- 404.14632 193.7
[M+Na-2H]- 426.12827 193.9
[M]+ 405.15305 194.6
[M]- 405.15415 194.6
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