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
2
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 151.4
[M+Na]+ 275.07909 161.6
[M-H]- 251.08259 158.8
[M+NH4]+ 270.12369 163.5
[M+K]+ 291.05303 161.5
[M+H-H2O]+ 235.08713 145.6
[M+HCOO]- 297.08807 169.5
[M+CH3COO]- 311.10372 163.3
[M+Na-2H]- 273.06454 159.9
[M]+ 252.08932 152.4
[M]- 252.09042 152.4
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.