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

2
Patents

370.03168 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.03896 177.9
[M+Na]+ 393.02090 186.8
[M-H]- 369.02440 185.7
[M+NH4]+ 388.06550 193.0
[M+K]+ 408.99484 173.7
[M+H-H2O]+ 353.02894 175.2
[M+HCOO]- 415.02988 194.9
[M+CH3COO]- 429.04553 212.4
[M+Na-2H]- 391.00635 182.8
[M]+ 370.03113 193.7
[M]- 370.03223 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