Metabolite Indapamide metabolite M1

Name

Indapamide metabolite M1

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 381.834
Monoisotopic: 381.055004412

Chemical Formula

C₁₆H₁₆ClN₃O₄S

InChI Key

ARPVNNMMMDXBBF-UHFFFAOYSA-N

InChI

InChI=1S/C16H16ClN3O4S/c1-9-6-11-7-12(21)3-5-14(11)20(9)19-16(22)10-2-4-13(17)15(8-10)25(18,23)24/h2-5,7-9,21H,6H2,1H3,(H,19,22)(H2,18,23,24)

IUPAC Name

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

SMILES

CC1CC2=CC(O)=CC=C2N1NC(=O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001j-0908000000-dec45a662b690751b1ce
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-0009000000-bcff26fe4f40f0a8d810
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001j-0907000000-66e56e4ee604b542ab87
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000t-2904000000-1f4cf4c61f3bad6ede96
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0931000000-c00504085bc5684bd377
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-003v-6900000000-eb36fd403aa327a8300b

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	179.88237	predicted	DeepCCS 1.0 (2019)
[M+H]+	182.24037	predicted	DeepCCS 1.0 (2019)
[M+Na]+	188.96251	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties