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

282
Patents

239.09464 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10192 154.2
[M+Na]+ 262.08386 164.0
[M-H]- 238.08736 161.1
[M+NH4]+ 257.12846 178.6
[M+K]+ 278.05780 159.7
[M+H-H2O]+ 222.09190 149.3
[M+HCOO]- 284.09284 175.2
[M+CH3COO]- 298.10849 167.7
[M+Na-2H]- 260.06931 154.4
[M]+ 239.09409 155.0
[M]- 239.09519 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