CID 146167572

Schembl21594481

Structural Information

Molecular Formula
C13H11N5O3
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N=[N+]=[N-]
InChI
InChI=1S/C13H11N5O3/c14-17-16-9-3-1-2-7-8(9)6-18(13(7)21)10-4-5-11(19)15-12(10)20/h1-3,10H,4-6H2,(H,15,19,20)
InChIKey
WOXBJNSSKUJQOQ-UHFFFAOYSA-N
Compound name
3-(7-azido-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
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

literature stripe

Patent stripe

patents stripe