Metabolite 4'-OH-triamterene

Name

4'-OH-triamterene

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

YPP1C921EF

CAS number

Not Available

Weight

Average: 269.268
Monoisotopic: 269.102508002

Chemical Formula

C₁₂H₁₁N₇O

InChI Key

QNJVMSASTUDLGC-UHFFFAOYSA-N

InChI

InChI=1S/C12H11N7O/c13-9-7(5-1-3-6(20)4-2-5)16-8-10(14)18-12(15)19-11(8)17-9/h1-4,20H,(H6,13,14,15,17,18,19)

IUPAC Name

4-(2,4,7-triaminopteridin-6-yl)phenol

SMILES

[H]N([H])C1=NC(N([H])[H])=C2N=C(C(=NC2=N1)N([H])[H])C1=C([H])C([H])=C(O)C([H])=C1[H]

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-0090000000-e58c3bda76eefd871b32
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-0090000000-4e35bb210d05735b3714
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-0090000000-db976578b02f2ba754bb
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-0290000000-4f7ea6027bd0a94e90f7
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0fa9-0790000000-82fe6418059ecef2eb36
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a59-1490000000-63e6bda83b79015d9ad2

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	167.91179	predicted	DeepCCS 1.0 (2019)
[M+H]+	169.85434	predicted	DeepCCS 1.0 (2019)
[M+Na]+	175.90373	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties