CID 156249214

2-(2,6-dioxopiperidin-3-yl)-3-oxoisoindoline-5-carbonitrile

Structural Information

Molecular Formula
C14H11N3O3
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=C(C=C3)C#N
InChI
InChI=1S/C14H11N3O3/c15-6-8-1-2-9-7-17(14(20)10(9)5-8)11-3-4-12(18)16-13(11)19/h1-2,5,11H,3-4,7H2,(H,16,18,19)
InChIKey
AABCQCXLKZIUFW-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

269.08005 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08733 160.6
[M+Na]+ 292.06927 171.2
[M-H]- 268.07277 162.9
[M+NH4]+ 287.11387 174.5
[M+K]+ 308.04321 163.8
[M+H-H2O]+ 252.07731 146.3
[M+HCOO]- 314.07825 173.5
[M+CH3COO]- 328.09390 169.9
[M+Na-2H]- 290.05472 160.9
[M]+ 269.07950 151.8
[M]- 269.08060 151.8
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