CID 132118478

Thalidomide, propargyl

Structural Information

Molecular Formula
C16H12N2O5
SMILES
C#CCOC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O
InChI
InChI=1S/C16H12N2O5/c1-2-8-23-11-5-3-4-9-13(11)16(22)18(15(9)21)10-6-7-12(19)17-14(10)20/h1,3-5,10H,6-8H2,(H,17,19,20)
InChIKey
NOGQTNDSZFYNTM-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-3-yl)-4-prop-2-ynoxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

312.07462 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.08190 169.1
[M+Na]+ 335.06384 180.1
[M-H]- 311.06734 170.5
[M+NH4]+ 330.10844 181.2
[M+K]+ 351.03778 172.4
[M+H-H2O]+ 295.07188 155.4
[M+HCOO]- 357.07282 179.7
[M+CH3COO]- 371.08847 209.0
[M+Na-2H]- 333.04929 167.4
[M]+ 312.07407 162.4
[M]- 312.07517 162.4
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