Spectrum CCMSLIB00000078438 for Mizolastine (Mizollen)

Rating: (*)★(*)★(*)★(*)★(*)☆

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
108612-45-9,1056596-82-7 (2HCl)
C24H25FN6O
432.20738764000004
O=C1C=CN=C(N1)N(C)C2CCN(C3=NC=4C=CC=CC4N3CC5=CC=C(F)C=C5)CC2
InChI=1S/C24H25FN6O/c1-29(23-26-13-10-22(32)28-23)19-11-14-30(15-12-19)24-27-20-4-2-3-5-21(20)31(24)16-17-6-8-18(25)9-7-17/h2-10,13,19H,11-12,14-16H2,1H3,(H,26,28,32)
PVLJETXTTWAYEW-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
432.207
1
Plate7_1_20_GD2_01_15767.mzXML
MS2
GNPS-SELLECKCHEM-FDA-PART2
negarg, Garg_Neha, Dorrestein
positive
3.599162264986444
0.781548155579011
433.215
[M+H]+
0.8255485153125127 ppm
-3.576400000611102E-4 Da