CID 6510082

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

Structural Information

Molecular Formula
C12H13BrN2O2
SMILES
CCC(=O)N1CC/C(=N/O)/C2=C1C=CC(=C2)Br
InChI
InChI=1S/C12H13BrN2O2/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
NXXUQBZRZORLTJ-UVTDQMKNSA-N
Compound name
1-[(4Z)-6-bromo-4-hydroxyimino-2,3-dihydroquinolin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

296.01605 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.02333 156.4
[M+Na]+ 319.00527 158.7
[M+NH4]+ 314.04987 160.4
[M+K]+ 334.97921 158.8
[M-H]- 295.00877 156.7
[M+Na-2H]- 316.99072 158.0
[M]+ 296.01550 155.4
[M]- 296.01660 155.4
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