CID 46782646

Oxcarbazepine enol-sulfate

Structural Information

Molecular Formula
C15H12N2O5S
SMILES
C1=CC=C2C(=C1)C=C(C3=CC=CC=C3N2C(=O)N)OS(=O)(=O)O
InChI
InChI=1S/C15H12N2O5S/c16-15(18)17-12-7-3-1-5-10(12)9-14(22-23(19,20)21)11-6-2-4-8-13(11)17/h1-9H,(H2,16,18)(H,19,20,21)
InChIKey
XZWZPMSCRUKWML-UHFFFAOYSA-N
Compound name
(11-carbamoylbenzo[b][1]benzazepin-5-yl) hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.0467 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.05398 171.3
[M+Na]+ 355.03592 180.9
[M+NH4]+ 350.08052 176.7
[M+K]+ 371.00986 176.3
[M-H]- 331.03942 171.5
[M+Na-2H]- 353.02137 175.3
[M]+ 332.04615 173.0
[M]- 332.04725 173.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.