CID 206843

Brn 0757676

Structural Information

Molecular Formula
C18H16N2O
SMILES
C1CC2=C3C(=C1)C(=O)NC=C(N3C=CC2)C4=CC=CC=C4
InChI
InChI=1S/C18H16N2O/c21-18-15-10-4-8-14-9-5-11-20(17(14)15)16(12-19-18)13-6-2-1-3-7-13/h1-3,5-7,10-12H,4,8-9H2,(H,19,21)
InChIKey
CGELKJPGHKMZPH-UHFFFAOYSA-N
Compound name
13-phenyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8,12-tetraen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.12625 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13353 165.8
[M+Na]+ 299.11547 172.4
[M-H]- 275.11897 170.4
[M+NH4]+ 294.16007 179.8
[M+K]+ 315.08941 169.6
[M+H-H2O]+ 259.12351 157.6
[M+HCOO]- 321.12445 180.2
[M+CH3COO]- 335.14010 175.4
[M+Na-2H]- 297.10092 172.0
[M]+ 276.12570 159.7
[M]- 276.12680 159.7
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.