Metabolite Indapamide epoxide intermediate

Name

Indapamide epoxide intermediate

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

ZDRCVKKLZHUQLV-UHFFFAOYSA-N

InChI

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

IUPAC Name

4-chloro-N-{5-methyl-1aH,4H,5H,6H,6bH-oxireno[2,3-e]indol-4-yl}-3-sulfamoylbenzamide

SMILES

CC1CC2=C(C=CC3OC23)N1NC(=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-0709000000-b46d68e636ee30e80516
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-0009000000-42030c4dd8a715159d23
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-0901000000-e6702df2cdcf86f8fc94
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0905000000-0aadca37dd48185c5152
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001a-0921000000-01650728d440763e136d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-003i-9323000000-2555b33b8352f19d1cc9

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	182.56264	predicted	DeepCCS 1.0 (2019)
[M+H]+	184.92065	predicted	DeepCCS 1.0 (2019)
[M+Na]+	191.609	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties