CID 34312

Oxcarbazepine

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₂

SMILES

C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N

InChI

InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)

InChIKey

CTRLABGOLIVAIY-UHFFFAOYSA-N

Compound name

5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 1858
References: 18318
Patents: 252.08987 Da
Monoisotopic Mass: 1.7
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]+	253.09715	153.8
[M+Na]+	275.07909	165.4
[M+NH4]+	270.12369	161.4
[M+K]+	291.05303	160.2
[M-H]-	251.08259	156.4
[M+Na-2H]-	273.06454	159.5
[M]+	252.08932	156.2
[M]-	252.09042	156.2

Literature stripe

literature stripe

Patent stripe

patents stripe