Dataset

Desacetyl-Diltiazem

This MassBank record with Accession MSBNK-Eawag-EQ01080604 contains the MS2 mass spectrum of Desacetyl-Diltiazem with the InChIkey NZHUXMZTSSZXSB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H24N2O3S/c1-21(2)12-13-22-16-6-4-5-7-17(16)26-19(18(23)20(22)24)14-8-10-15(25-3)11-9-14/h4-11,18-19,23H,12-13H2,1-3H3
SMILES CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)O)C3=CC=C(C=C3)OC
InChI Key NZHUXMZTSSZXSB-UHFFFAOYSA-N
Molecular Formula C20H24N2O3S
Exact Mass 372.151 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01080604
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:58:43.420936
MetadataModified 2025-02-09T09:58:43.615603
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
11068728 PubChem
SCHEMBL7348976 SureChEMBL
16137017 PubChem: Thomson Pharma
CHEMBL111670 ChEMBL
J331.332H Nikkaji
The data in this table is sourced from UniChem at EBI.