CID 146244215

2229976-12-7

Structural Information

Molecular Formula
C16H12N2O6
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)/C=C/C(=O)O
InChI
InChI=1S/C16H12N2O6/c19-12-5-4-11(14(22)17-12)18-15(23)9-3-1-8(2-6-13(20)21)7-10(9)16(18)24/h1-3,6-7,11H,4-5H2,(H,20,21)(H,17,19,22)/b6-2+
InChIKey
FXBREOSVRBJEDR-QHHAFSJGSA-N
Compound name
(E)-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

328.06955 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.07683 173.9
[M+Na]+ 351.05877 183.1
[M+NH4]+ 346.10337 177.2
[M+K]+ 367.03271 181.6
[M-H]- 327.06227 172.3
[M+Na-2H]- 349.04422 173.9
[M]+ 328.06900 174.0
[M]- 328.07010 174.0
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