CID 6505363

6-chloro-1-ethylcarbonyl-4-oxyimino-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C12H13ClN2O2
SMILES
CCC(=O)N1CC/C(=N/O)/C2=C1C=CC(=C2)Cl
InChI
InChI=1S/C12H13ClN2O2/c1-2-12(16)15-6-5-10(14-17)9-7-8(13)3-4-11(9)15/h3-4,7,17H,2,5-6H2,1H3/b14-10-
InChIKey
ABELRHWKDXLRAR-UVTDQMKNSA-N
Compound name
1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

252.06656 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07384 153.0
[M+Na]+ 275.05578 165.8
[M+NH4]+ 270.10038 161.1
[M+K]+ 291.02972 158.9
[M-H]- 251.05928 155.0
[M+Na-2H]- 273.04123 158.0
[M]+ 252.06601 155.5
[M]- 252.06711 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe