CID 6510075

6-chloro-1-(phenylacetyl)-2,3-dihydro-4(1h)-quinolinone 4-oxime

Structural Information

Molecular Formula
C17H15ClN2O2
SMILES
C\1CN(C2=C(/C1=N\O)C=C(C=C2)Cl)C(=O)CC3=CC=CC=C3
InChI
InChI=1S/C17H15ClN2O2/c18-13-6-7-16-14(11-13)15(19-22)8-9-20(16)17(21)10-12-4-2-1-3-5-12/h1-7,11,22H,8-10H2/b19-15-
InChIKey
AELVWPPXVWMAFZ-CYVLTUHYSA-N
Compound name
1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-2-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

314.0822 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08948 170.5
[M+Na]+ 337.07142 185.3
[M+NH4]+ 332.11602 179.0
[M+K]+ 353.04536 176.7
[M-H]- 313.07492 175.3
[M+Na-2H]- 335.05687 178.3
[M]+ 314.08165 174.2
[M]- 314.08275 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