CID 300678

26234-46-8

Structural Information

Molecular Formula
C15H13NO2
SMILES
C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=CC=C4
InChI
InChI=1S/C15H13NO2/c17-14-12-9-6-7-10(8-9)13(12)15(18)16(14)11-4-2-1-3-5-11/h1-7,9-10,12-13H,8H2
InChIKey
GAONUEUNHBLHPP-UHFFFAOYSA-N
Compound name
4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

134
Patents

239.09464 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.101916 154.2
[M+Na]+ 262.083858 164.0
[M-H]- 238.087364 161.1
[M+NH4]+ 257.128463 178.6
[M+K]+ 278.057798 159.7
[M+H-H2O]+ 222.091900 149.3
[M+HCOO]- 284.092841 175.2
[M+CH3COO]- 298.108491 167.7
[M+Na-2H]- 260.069306 154.4
[M]+ 239.09409142 155.0
[M]- 239.09518858 155.0
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

patents stripe