CID 150068092

2580178-40-9

Structural Information

Molecular Formula
C13H11N5O3
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=C(C=C3)N=[N+]=[N-]
InChI
InChI=1S/C13H11N5O3/c14-17-16-8-2-1-7-6-18(13(21)9(7)5-8)10-3-4-11(19)15-12(10)20/h1-2,5,10H,3-4,6H2,(H,15,19,20)
InChIKey
DORWRPCCFLWZLS-UHFFFAOYSA-N
Compound name
3-(5-azido-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.08618 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.09346 160.8
[M+Na]+ 308.07540 167.5
[M-H]- 284.07890 167.1
[M+NH4]+ 303.12000 175.6
[M+K]+ 324.04934 158.4
[M+H-H2O]+ 268.08344 156.3
[M+HCOO]- 330.08438 183.8
[M+CH3COO]- 344.10003 200.1
[M+Na-2H]- 306.06085 167.1
[M]+ 285.08563 154.2
[M]- 285.08673 154.2
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

No patent data available for this compound.