CID 137519454

2291364-01-5

Structural Information

Molecular Formula
C13H11IN2O3
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)I
InChI
InChI=1S/C13H11IN2O3/c14-8-1-2-9-7(5-8)6-16(13(9)19)10-3-4-11(17)15-12(10)18/h1-2,5,10H,3-4,6H2,(H,15,17,18)
InChIKey
YQXFKPAMIWXXHW-UHFFFAOYSA-N
Compound name
3-(6-iodo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

369.98145 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.98873 157.7
[M+Na]+ 392.97067 159.3
[M-H]- 368.97417 154.3
[M+NH4]+ 388.01527 169.1
[M+K]+ 408.94461 160.4
[M+H-H2O]+ 352.97871 146.8
[M+HCOO]- 414.97965 169.3
[M+CH3COO]- 428.99530 201.3
[M+Na-2H]- 390.95612 147.6
[M]+ 369.98090 151.4
[M]- 369.98200 151.4
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