CID 6510083

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

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

2
Patents

310.03168 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.03896 162.0
[M+Na]+ 333.02090 171.6
[M-H]- 309.02440 167.3
[M+NH4]+ 328.06550 180.0
[M+K]+ 348.99484 160.3
[M+H-H2O]+ 293.02894 160.7
[M+HCOO]- 355.02988 178.3
[M+CH3COO]- 369.04553 204.4
[M+Na-2H]- 331.00635 166.1
[M]+ 310.03113 178.8
[M]- 310.03223 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