Metabolite Remoxipride Metabolite FLA 853

Name

Remoxipride Metabolite FLA 853

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 260.087
Monoisotopic: 258.984406

Chemical Formula

C₉H₁₀BrNO₃

InChI Key

DPDQIKPORRDZJR-UHFFFAOYSA-N

InChI

InChI=1S/C9H10BrNO3/c1-13-6-4-3-5(10)8(14-2)7(6)9(11)12/h3-4H,1-2H3,(H2,11,12)

IUPAC Name

3-bromo-2,6-dimethoxybenzamide

SMILES

COC1=C(C(N)=O)C(OC)=C(Br)C=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-0090000000-aa904e68401b169341f9
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-08fr-0090000000-cae59c58e2f1a7e5ac80
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-0090000000-0b9ebb389c950ce3ca98
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-9010000000-b6863f8f40ceba4aa60d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000x-3970000000-9c4627613f4a0d65f6b2
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-002f-9000000000-d9dd83ffc7731f4b5362

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	144.4864	predicted	DeepCCS 1.0 (2019)
[M+H]+	146.85359	predicted	DeepCCS 1.0 (2019)
[M+Na]+	152.99353	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties