Metabolite p-hydroxybropirimine

Name

p-hydroxybropirimine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 282.097
Monoisotopic: 280.97999

Chemical Formula

C₁₀H₈BrN₃O₂

InChI Key

BPQDHWHENINUML-UHFFFAOYSA-N

InChI

InChI=1S/C10H8BrN3O2/c11-7-8(13-10(12)14-9(7)16)5-1-3-6(15)4-2-5/h1-4,15H,(H3,12,13,14,16)

IUPAC Name

5-bromo-6-(4-hydroxyphenyl)-2-imino-1,2-dihydropyrimidin-4-ol

SMILES

OC1=CC=C(C=C1)C1=C(Br)C(O)=NC(=N)N1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-0090000000-13edccec4d4e604c5ec6
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-0090000000-063b8b18082c9ad8c0be
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0090000000-77cb3ca9a21182b9cdd8
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0gbc-0930000000-07bbb7eef59e669ed403
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-002f-2980000000-f6ff29af7118fb34205d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-4900000000-9675a9121824f3a410d8

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	150.35327	predicted	DeepCCS 1.0 (2019)
[M+H]+	152.71129	predicted	DeepCCS 1.0 (2019)
[M+Na]+	158.80443	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties