CID 54680432

Nsc675809

Structural Information

Molecular Formula
C18H15NO2
SMILES
C=CCN1C2=CC=CC=C2C(=C(C1=O)C3=CC=CC=C3)O
InChI
InChI=1S/C18H15NO2/c1-2-12-19-15-11-7-6-10-14(15)17(20)16(18(19)21)13-8-4-3-5-9-13/h2-11,20H,1,12H2
InChIKey
YWWXWLRUZYYONF-UHFFFAOYSA-N
Compound name
4-hydroxy-3-phenyl-1-prop-2-enylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1103 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11758 163.2
[M+Na]+ 300.09952 173.2
[M-H]- 276.10302 168.8
[M+NH4]+ 295.14412 178.5
[M+K]+ 316.07346 166.6
[M+H-H2O]+ 260.10756 154.8
[M+HCOO]- 322.10850 183.9
[M+CH3COO]- 336.12415 175.2
[M+Na-2H]- 298.08497 168.9
[M]+ 277.10975 164.0
[M]- 277.11085 164.0
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.