Metabolite Indapamide metabolite M2

Name

Indapamide metabolite M2

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 395.817
Monoisotopic: 395.03426897

Chemical Formula

C₁₆H₁₄ClN₃O₅S

InChI Key

AHVOGCBKNVSCRL-UHFFFAOYSA-N

InChI

InChI=1S/C16H14ClN3O5S/c1-8-15(22)11-7-10(21)3-5-13(11)20(8)19-16(23)9-2-4-12(17)14(6-9)26(18,24)25/h2-8,21H,1H3,(H,19,23)(H2,18,24,25)

IUPAC Name

4-chloro-N-(5-hydroxy-2-methyl-3-oxo-2,3-dihydro-1H-indol-1-yl)-3-sulfamoylbenzamide

SMILES

CC1N(NC(=O)C2=CC(=C(Cl)C=C2)S(N)(=O)=O)C2=CC=C(O)C=C2C1=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-01ot-0809000000-b9bfa62fbd03f3ec4eb4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-01ta-0509000000-165708a2bfdc25d09176
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-0009000000-a1d429980a5de56de3ad
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00kr-0792000000-7063b0ef21aaee66d4d8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-01ox-1709000000-64f44983d852b549bfff
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-003v-3900000000-82a1fa5debfd62dd7c5c

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	183.05214	predicted	DeepCCS 1.0 (2019)
[M+H]+	185.41014	predicted	DeepCCS 1.0 (2019)
[M+Na]+	192.29143	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties