CID 514104

Chembl16444

Structural Information

Molecular Formula
C10H9NO3
SMILES
C1C2=CC=CC=C2CC(=O)N(C1=O)O
InChI
InChI=1S/C10H9NO3/c12-9-5-7-3-1-2-4-8(7)6-10(13)11(9)14/h1-4,14H,5-6H2
InChIKey
DQAXPTQNKZMKAH-UHFFFAOYSA-N
Compound name
3-hydroxy-1,5-dihydro-3-benzazepine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

191.05824 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 134.0
[M+Na]+ 214.04746 141.5
[M-H]- 190.05096 137.5
[M+NH4]+ 209.09206 151.8
[M+K]+ 230.02140 143.2
[M+H-H2O]+ 174.05550 128.8
[M+HCOO]- 236.05644 152.9
[M+CH3COO]- 250.07209 182.2
[M+Na-2H]- 212.03291 140.2
[M]+ 191.05769 130.0
[M]- 191.05879 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.