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

2
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 170.8
[M+Na]+ 337.07142 178.3
[M-H]- 313.07492 176.4
[M+NH4]+ 332.11602 185.4
[M+K]+ 353.04536 172.1
[M+H-H2O]+ 297.07946 162.5
[M+HCOO]- 359.08040 185.9
[M+CH3COO]- 373.09605 181.3
[M+Na-2H]- 335.05687 175.1
[M]+ 314.08165 170.7
[M]- 314.08275 170.7
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