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]+ 253.097146 151.4
[M+Na]+ 275.079088 161.6
[M-H]- 251.082594 158.8
[M+NH4]+ 270.123693 163.5
[M+K]+ 291.053028 161.5
[M+H-H2O]+ 235.087130 145.6
[M+HCOO]- 297.088071 169.5
[M+CH3COO]- 311.103721 163.3
[M+Na-2H]- 273.064536 159.9
[M]+ 252.08932142 152.4
[M]- 252.09041858 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

literature stripe

Patent stripe

No patent data available for this compound.