CID 134481527

2-(2,6-dioxopiperidin-3-yl)-5-(prop-2-yn-1-yloxy)isoindoline-1,3-dione

Structural Information

Molecular Formula
C16H12N2O5
SMILES
C#CCOC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O
InChI
InChI=1S/C16H12N2O5/c1-2-7-23-9-3-4-10-11(8-9)16(22)18(15(10)21)12-5-6-13(19)17-14(12)20/h1,3-4,8,12H,5-7H2,(H,17,19,20)
InChIKey
GDWXJPQKRQMMQW-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-3-yl)-5-prop-2-ynoxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
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 171.3
[M+Na]+ 335.06384 181.9
[M+NH4]+ 330.10844 172.9
[M+K]+ 351.03778 175.4
[M-H]- 311.06734 163.3
[M+Na-2H]- 333.04929 170.1
[M]+ 312.07407 169.3
[M]- 312.07517 169.3
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