CID 213863

Brn 0752577

Structural Information

Molecular Formula
C17H14N2O
SMILES
C1CN2C(=O)CN=C(C3=CC=CC1=C32)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/h1-8H,9-11H2
InChIKey
DMBFAKKWMRMRJD-UHFFFAOYSA-N
Compound name
9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

262.11063 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.11791 159.4
[M+Na]+ 285.09985 172.5
[M+NH4]+ 280.14445 168.1
[M+K]+ 301.07379 167.2
[M-H]- 261.10335 163.0
[M+Na-2H]- 283.08530 166.2
[M]+ 262.11008 162.4
[M]- 262.11118 162.4
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