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

2
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 160.1
[M+Na]+ 334.01617 169.7
[M-H]- 310.01967 166.8
[M+NH4]+ 329.06077 178.4
[M+K]+ 349.99011 159.3
[M+H-H2O]+ 294.02421 158.0
[M+HCOO]- 356.02515 179.1
[M+CH3COO]- 370.04080 208.0
[M+Na-2H]- 332.00162 165.6
[M]+ 311.02640 177.5
[M]- 311.02750 177.5
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