CID 6510088

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

Structural Information

Molecular Formula
C12H14BrN3O2
SMILES
CN(C)C(=O)N1CC/C(=N/O)/C2=C1C=CC(=C2)Br
InChI
InChI=1S/C12H14BrN3O2/c1-15(2)12(17)16-6-5-10(14-18)9-7-8(13)3-4-11(9)16/h3-4,7,18H,5-6H2,1-2H3/b14-10-
InChIKey
CCFGZXKGAMQZAW-UVTDQMKNSA-N
Compound name
(4Z)-6-bromo-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

311.02695 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.03423 158.6
[M+Na]+ 334.01617 160.0
[M+NH4]+ 329.06077 162.3
[M+K]+ 349.99011 160.9
[M-H]- 310.01967 159.3
[M+Na-2H]- 332.00162 160.1
[M]+ 311.02640 157.5
[M]- 311.02750 157.5
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

patents stripe