CID 6510085

6-bromo-4-oximino-1-methylcarbamoyl-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C11H12BrN3O2
SMILES
CNC(=O)N1CC/C(=N/O)/C2=C1C=CC(=C2)Br
InChI
InChI=1S/C11H12BrN3O2/c1-13-11(16)15-5-4-9(14-17)8-6-7(12)2-3-10(8)15/h2-3,6,17H,4-5H2,1H3,(H,13,16)/b14-9-
InChIKey
XXGYFIOVPVNIOK-ZROIWOOFSA-N
Compound name
(4Z)-6-bromo-4-hydroxyimino-N-methyl-2,3-dihydroquinoline-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

297.0113 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.01858 155.7
[M+Na]+ 320.00052 165.5
[M-H]- 296.00402 161.2
[M+NH4]+ 315.04512 173.9
[M+K]+ 335.97446 154.0
[M+H-H2O]+ 280.00856 153.8
[M+HCOO]- 342.00950 174.5
[M+CH3COO]- 356.02515 202.1
[M+Na-2H]- 317.98597 162.4
[M]+ 297.01075 171.6
[M]- 297.01185 171.6
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