CID 6510073

6-chloro-4-oximino-1-valeryl-1,2,3,4-tetrahydroquinoline

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]+ 281.10515 163.0
[M+Na]+ 303.08709 170.6
[M-H]- 279.09059 165.6
[M+NH4]+ 298.13169 179.6
[M+K]+ 319.06103 165.6
[M+H-H2O]+ 263.09513 156.4
[M+HCOO]- 325.09607 177.8
[M+CH3COO]- 339.11172 201.2
[M+Na-2H]- 301.07254 166.4
[M]+ 280.09732 164.3
[M]- 280.09842 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