CID 206844

Brn 0750835

Structural Information

Molecular Formula
C17H12N2O
SMILES
C1C(=O)N2C=CC3=C2C(=CC=C3)C(=N1)C4=CC=CC=C4
InChI
InChI=1S/C17H12N2O/c20-15-11-18-16(12-5-2-1-3-6-12)14-8-4-7-13-9-10-19(15)17(13)14/h1-10H,11H2
InChIKey
CLLGCJSSFLXOGL-UHFFFAOYSA-N
Compound name
9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7,9-pentaen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.09497 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.10225 157.4
[M+Na]+ 283.08419 172.2
[M+NH4]+ 278.12879 166.2
[M+K]+ 299.05813 166.5
[M-H]- 259.08769 161.4
[M+Na-2H]- 281.06964 165.8
[M]+ 260.09442 160.9
[M]- 260.09552 160.9
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

patents stripe