CID 4227276

64257-50-7

Structural Information

Molecular Formula
C19H13NO
SMILES
C1=CC=C(C=C1)C2=CC(=O)NC3=C2C4=CC=CC=C4C=C3
InChI
InChI=1S/C19H13NO/c21-18-12-16(13-6-2-1-3-7-13)19-15-9-5-4-8-14(15)10-11-17(19)20-18/h1-12H,(H,20,21)
InChIKey
NOEWJUYZGGDQCN-UHFFFAOYSA-N
Compound name
1-phenyl-4H-benzo[f]quinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0997 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10698 160.6
[M+Na]+ 294.08892 171.3
[M-H]- 270.09242 167.0
[M+NH4]+ 289.13352 176.7
[M+K]+ 310.06286 163.5
[M+H-H2O]+ 254.09696 151.5
[M+HCOO]- 316.09790 181.4
[M+CH3COO]- 330.11355 172.7
[M+Na-2H]- 292.07437 170.4
[M]+ 271.09915 160.5
[M]- 271.10025 160.5
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.