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

8
Annotation Hits: 1861
References: 21412
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	153.6
[M+Na]+	275.07909	161.4
[M-H]-	251.08259	158.9
[M+NH4]+	270.12369	170.2
[M+K]+	291.05303	161.5
[M+H-H2O]+	235.08713	147.6
[M+HCOO]-	297.08807	172.9
[M+CH3COO]-	311.10372	165.3
[M+Na-2H]-	273.06454	159.9
[M]+	252.08932	149.8
[M]-	252.09042	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe