CID 6510073

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

Structural Information

Molecular Formula
C14H17ClN2O2
SMILES
CCCCC(=O)N1CC/C(=N/O)/C2=C1C=CC(=C2)Cl
InChI
InChI=1S/C14H17ClN2O2/c1-2-3-4-14(18)17-8-7-12(16-19)11-9-10(15)5-6-13(11)17/h5-6,9,19H,2-4,7-8H2,1H3/b16-12-
InChIKey
AUFPWKHBEWESHY-VBKFSLOCSA-N
Compound name
1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

280.09787 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.105146 163.0
[M+Na]+ 303.087088 170.6
[M-H]- 279.090594 165.6
[M+NH4]+ 298.131693 179.6
[M+K]+ 319.061028 165.6
[M+H-H2O]+ 263.095130 156.4
[M+HCOO]- 325.096071 177.8
[M+CH3COO]- 339.111721 201.2
[M+Na-2H]- 301.072536 166.4
[M]+ 280.09732142 164.3
[M]- 280.09841858 164.3
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