CID 206845

Brn 0672165

Structural Information

Molecular Formula
C17H14N2O
SMILES
C1C(=O)N2C=CC3=C2C(=CC=C3)C(N1)C4=CC=CC=C4
InChI
InChI=1S/C17H14N2O/c20-15-11-18-16(12-5-2-1-3-6-12)14-8-4-7-13-9-10-19(15)17(13)14/h1-10,16,18H,11H2
InChIKey
DOKPYYBVJOMRIK-UHFFFAOYSA-N
Compound name
9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.11063 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.11791 158.6
[M+Na]+ 285.09985 172.1
[M+NH4]+ 280.14445 167.1
[M+K]+ 301.07379 166.9
[M-H]- 261.10335 162.0
[M+Na-2H]- 283.08530 165.7
[M]+ 262.11008 161.7
[M]- 262.11118 161.7
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.