Spectrum CCMSLIB00000078230 for Isradipine (Dynacirc)

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
75695-93-1
C19H21N3O5
371.14812077199997
O=C(OC)C1=C(NC(=C(C(=O)OC(C)C)C1C2=CC=CC3=NON=C32)C)C
InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,20H,1-5H3
HMJIYCCIJYRONP-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
371.148
1
Plate3_61_88_GH1_01_16501.mzXML
MS2
GNPS-SELLECKCHEM-FDA-PART2
negarg, Garg_Neha, Dorrestein
positive
4.824835884145507
0.8118793147114514
372.155
[M+H]+
2.9309615617088087 ppm
-0.0010907719999977417 Da