CID 13901529

11-keto oxcarbazepine

Structural Information

Molecular Formula

C₁₅H₁₀N₂O₃

SMILES

C1=CC=C2C(=C1)C(=O)C(=O)C3=CC=CC=C3N2C(=O)N

InChI

InChI=1S/C15H10N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8H,(H2,16,20)

InChIKey

GUBHPEHRMYFCMM-UHFFFAOYSA-N

Compound name

5,6-dioxobenzo[b][1]benzazepine-11-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 266.06915 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	267.076426	155.5
[M+Na]+	289.058368	166.1
[M-H]-	265.061874	162.0
[M+NH4]+	284.102973	172.0
[M+K]+	305.032308	166.6
[M+H-H2O]+	249.066410	149.6
[M+HCOO]-	311.067351	177.8
[M+CH3COO]-	325.083001	168.4
[M+Na-2H]-	287.043816	163.0
[M]+	266.06860142	155.5
[M]-	266.06969858	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe