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 161.3
[M+Na]+ 285.09985 170.2
[M-H]- 261.10335 167.2
[M+NH4]+ 280.14445 177.9
[M+K]+ 301.07379 167.0
[M+H-H2O]+ 245.10789 154.1
[M+HCOO]- 307.10883 179.6
[M+CH3COO]- 321.12448 172.7
[M+Na-2H]- 283.08530 167.0
[M]+ 262.11008 158.4
[M]- 262.11118 158.4
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