CID 6510076

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

Structural Information

Molecular Formula
C18H15ClN2O2
SMILES
C\1CN(C2=C(/C1=N\O)C=C(C=C2)Cl)C(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C18H15ClN2O2/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
PFBRRAPCLHIKEE-LDKJASCWSA-N
Compound name
(E)-1-[(4Z)-6-chloro-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

326.0822 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.08948 174.7
[M+Na]+ 349.07142 182.2
[M-H]- 325.07492 180.2
[M+NH4]+ 344.11602 188.8
[M+K]+ 365.04536 175.1
[M+H-H2O]+ 309.07946 166.2
[M+HCOO]- 371.08040 189.7
[M+CH3COO]- 385.09605 207.7
[M+Na-2H]- 347.05687 178.4
[M]+ 326.08165 174.2
[M]- 326.08275 174.2
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