CID 44579957

3-oxoisoindoline-4-carboxamide

Structural Information

Molecular Formula
C9H8N2O2
SMILES
C1C2=C(C(=CC=C2)C(=O)N)C(=O)N1
InChI
InChI=1S/C9H8N2O2/c10-8(12)6-3-1-2-5-4-11-9(13)7(5)6/h1-3H,4H2,(H2,10,12)(H,11,13)
InChIKey
LTNBJPASIMOEQG-UHFFFAOYSA-N
Compound name
3-oxo-1,2-dihydroisoindole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

128
Patents

176.05858 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 135.6
[M+Na]+ 199.04780 145.7
[M+NH4]+ 194.09240 143.1
[M+K]+ 215.02174 142.9
[M-H]- 175.05130 136.1
[M+Na-2H]- 197.03325 139.2
[M]+ 176.05803 136.7
[M]- 176.05913 136.7
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