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

1867
References

21873
Patents

252.08987 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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.