Metabolite Indapamide metabolite M4

Name

Indapamide metabolite M4

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 379.818
Monoisotopic: 379.039354348

Chemical Formula

C₁₆H₁₄ClN₃O₄S

InChI Key

WTWDWHYDLVHLPL-UHFFFAOYSA-N

InChI

InChI=1S/C16H14ClN3O4S/c1-9-15(21)11-4-2-3-5-13(11)20(9)19-16(22)10-6-7-12(17)14(8-10)25(18,23)24/h2-9H,1H3,(H,19,22)(H2,18,23,24)

IUPAC Name

4-chloro-N-(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=CC=C2C1=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-0209000000-f2b36e471f56c6c9506f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0009000000-1ae87cd03bfc7cb62cb7
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03ea-0309000000-2c52536c40be14771080
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0uml-1519000000-d5fa5530963fa28f826a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-0982000000-2599f73c673388c28048
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-015c-3900000000-2ca6c36ea0812dc4d549

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	178.98592	predicted	DeepCCS 1.0 (2019)
[M+H]+	181.3439	predicted	DeepCCS 1.0 (2019)
[M+Na]+	189.00487	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties