CID 145722035

Carbamazepine 2,3-epoxide

Structural Information

Molecular Formula
C15H12N2O2
SMILES
C1=CC=C2C(=C1)C=CC3=CC4C(O4)C=C3N2C(=O)N
InChI
InChI=1S/C15H12N2O2/c16-15(18)17-11-4-2-1-3-9(11)5-6-10-7-13-14(19-13)8-12(10)17/h1-8,13-14H,(H2,16,18)
InChIKey
AUCXBTOAZTYKIN-UHFFFAOYSA-N
Compound name
14-oxa-2-azatetracyclo[9.5.0.03,8.013,15]hexadeca-1(16),3,5,7,9,11-hexaene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.08987 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09715 156.4
[M+Na]+ 275.07909 169.9
[M+NH4]+ 270.12369 165.3
[M+K]+ 291.05303 165.9
[M-H]- 251.08259 166.8
[M+Na-2H]- 273.06454 163.3
[M]+ 252.08932 162.4
[M]- 252.09042 162.4
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.