Spectrum WA002735 for Fenpiverinium

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/C22H28N2O/c1-24(16-9-4-10-17-24)18-15-22(21(23)25,19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3,(H-,23,25)/p+1
QDIYJDPBMZUZEH-UHFFFAOYSA-O
[C22H29N2O]+
337.2274399680907
N=C(O)C(C=1C=CC=CC1)(C=2C=CC=CC2)CC[N+]3(C)CCCCC3

Mass Spectral Metadata

NameValue
WA002735
2016.01.19 (Created 2007.08.01, modified 2012.05.21)
Nihon Waters K.K.
CC BY-NC
337.22799
ZQ, Waters
LC-ESI-Q
MS1
ESI
12.800 min
2.1 mm id - 3. 5{mu}m XTerra C18MS
35 C
75 V
ignore rel.int. < 5
positive
2.4868827079718745
0.754552730938658