CID 6510084

4(1h)-quinolinone, 6-bromo-2,3-dihydro-1-(1-oxo-3-phenyl-2-propenyl)-, 4-oxime

Structural Information

Molecular Formula
C18H15BrN2O2
SMILES
C\1CN(C2=C(/C1=N\O)C=C(C=C2)Br)C(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C18H15BrN2O2/c19-14-7-8-17-15(12-14)16(20-23)10-11-21(17)18(22)9-6-13-4-2-1-3-5-13/h1-9,12,23H,10-11H2/b9-6+,20-16-
InChIKey
NLZMOZGKKLOJEM-LDKJASCWSA-N
Compound name
(E)-1-[(4Z)-6-bromo-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

370.03168 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.038956 177.9
[M+Na]+ 393.020898 186.8
[M-H]- 369.024404 185.7
[M+NH4]+ 388.065503 193.0
[M+K]+ 408.994838 173.7
[M+H-H2O]+ 353.028940 175.2
[M+HCOO]- 415.029881 194.9
[M+CH3COO]- 429.045531 212.4
[M+Na-2H]- 391.006346 182.8
[M]+ 370.03113142 193.7
[M]- 370.03222858 193.7
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

patents stripe