CID 6510074

81892-38-8

Structural Information

Molecular Formula

C₁₄H₁₇ClN₂O₂

SMILES

CC(C)CC(=O)N1CC/C(=N/O)/C2=C1C=CC(=C2)Cl

InChI

InChI=1S/C14H17ClN2O2/c1-9(2)7-14(18)17-6-5-12(16-19)11-8-10(15)3-4-13(11)17/h3-4,8-9,19H,5-7H2,1-2H3/b16-12-

InChIKey

AHNPJQHOUHIVKU-VBKFSLOCSA-N

Compound name

1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-3-methylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 280.09787 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	281.105146	162.6
[M+Na]+	303.087088	170.0
[M-H]-	279.090594	165.4
[M+NH4]+	298.131693	179.2
[M+K]+	319.061028	165.5
[M+H-H2O]+	263.095130	156.3
[M+HCOO]-	325.096071	176.5
[M+CH3COO]-	339.111721	202.1
[M+Na-2H]-	301.072536	165.0
[M]+	280.09732142	163.4
[M]-	280.09841858	163.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe