Spectrum WA001033 for 7-Hydroxyrisperidone

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
InChI=1S/C23H27FN4O3/c1-14-18(23(30)28-13-17(29)3-5-21(28)25-14)8-11-27-9-6-15(7-10-27)22-19-4-2-16(24)12-20(19)31-26-22/h2,4,12,15,17,29H,3,5-11,13H2,1H3
ABWPQNZPAOAQSG-UHFFFAOYSA-N
C23H27FN4O3
426.206718944
O=C1C(=C(N=C2N1CC(O)CC2)C)CCN3CCC(C4=NOC=5C=C(F)C=CC54)CC3

Mass Spectral Metadata

NameValue
WA001033
2016.01.19 (Created 2007.08.01, modified 2011.05.06)
Nihon Waters K.K.
CC BY-NC
426.20672
ZQ, Waters
LC-ESI-Q
MS1
ESI
12.360 min
2.1 mm id - 3. 5{mu}m XTerra C18MS
35 C
60 V
ignore rel.int. < 5
positive
1.0611020445681902
0.5102822191918893