CID 6510083

81892-48-0

Structural Information

Molecular Formula
C13H15BrN2O2
SMILES
CC(C)C(=O)N1CC/C(=N/O)/C2=C1C=CC(=C2)Br
InChI
InChI=1S/C13H15BrN2O2/c1-8(2)13(17)16-6-5-11(15-18)10-7-9(14)3-4-12(10)16/h3-4,7-8,18H,5-6H2,1-2H3/b15-11-
InChIKey
NQKGMBOMDGBMRP-PTNGSMBKSA-N
Compound name
1-[(4Z)-6-bromo-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

310.03168 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.038956 162.0
[M+Na]+ 333.020898 171.6
[M-H]- 309.024404 167.3
[M+NH4]+ 328.065503 180.0
[M+K]+ 348.994838 160.3
[M+H-H2O]+ 293.028940 160.7
[M+HCOO]- 355.029881 178.3
[M+CH3COO]- 369.045531 204.4
[M+Na-2H]- 331.006346 166.1
[M]+ 310.03113142 178.8
[M]- 310.03222858 178.8
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