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]+ 277.133526 165.8
[M+Na]+ 299.115468 172.4
[M-H]- 275.118974 170.4
[M+NH4]+ 294.160073 179.8
[M+K]+ 315.089408 169.6
[M+H-H2O]+ 259.123510 157.6
[M+HCOO]- 321.124451 180.2
[M+CH3COO]- 335.140101 175.4
[M+Na-2H]- 297.100916 172.0
[M]+ 276.12570142 159.7
[M]- 276.12679858 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.