CID 135687505

N-benzyl-5-(hydroxyimino)-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

Structural Information

Molecular Formula
C17H17N3O3
SMILES
C1CC2=C(C=C(C(=O)N2)C(=O)NCC3=CC=CC=C3)/C(=N/O)/C1
InChI
InChI=1S/C17H17N3O3/c21-16(18-10-11-5-2-1-3-6-11)13-9-12-14(19-17(13)22)7-4-8-15(12)20-23/h1-3,5-6,9,23H,4,7-8,10H2,(H,18,21)(H,19,22)/b20-15+
InChIKey
KZLFHFDODGOXMM-HMMYKYKNSA-N
Compound name
(5E)-N-benzyl-5-hydroxyimino-2-oxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.12698 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13426 171.2
[M+Na]+ 334.11620 182.7
[M+NH4]+ 329.16080 177.6
[M+K]+ 350.09014 176.2
[M-H]- 310.11970 174.8
[M+Na-2H]- 332.10165 177.4
[M]+ 311.12643 173.5
[M]- 311.12753 173.5
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

No patent data available for this compound.