CID 514105

Chembl277090

Structural Information

Molecular Formula
C10H9NO3
SMILES
C1CC(=O)N(C(=O)C2=CC=CC=C21)O
InChI
InChI=1S/C10H9NO3/c12-9-6-5-7-3-1-2-4-8(7)10(13)11(9)14/h1-4,14H,5-6H2
InChIKey
IRJZIZKBNPSVEX-UHFFFAOYSA-N
Compound name
2-hydroxy-4,5-dihydro-2-benzazepine-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

191.05824 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 134.0
[M+Na]+ 214.047458 141.5
[M-H]- 190.050964 137.5
[M+NH4]+ 209.092063 151.8
[M+K]+ 230.021398 143.2
[M+H-H2O]+ 174.055500 128.8
[M+HCOO]- 236.056441 152.9
[M+CH3COO]- 250.072091 182.2
[M+Na-2H]- 212.032906 140.2
[M]+ 191.05769142 130.0
[M]- 191.05878858 130.0
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

No patent data available for this compound.