CID 465250

Chembl163841

Structural Information

Molecular Formula
C16H15N3O
SMILES
C1C(NCC2=C3N1C(=O)NC3=CC=C2)C4=CC=CC=C4
InChI
InChI=1S/C16H15N3O/c20-16-18-13-8-4-7-12-9-17-14(10-19(16)15(12)13)11-5-2-1-3-6-11/h1-8,14,17H,9-10H2,(H,18,20)
InChIKey
UHTVNMQZJAMHQL-UHFFFAOYSA-N
Compound name
11-phenyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.12152 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12880 162.2
[M+Na]+ 288.11074 171.3
[M-H]- 264.11424 165.8
[M+NH4]+ 283.15534 176.9
[M+K]+ 304.08468 167.4
[M+H-H2O]+ 248.11878 153.9
[M+HCOO]- 310.11972 178.2
[M+CH3COO]- 324.13537 172.7
[M+Na-2H]- 286.09619 168.0
[M]+ 265.12097 158.0
[M]- 265.12207 158.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.