Spectrum CB000125 for Ajmalin

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
Alkaloids
InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11?,14?,15-,16?,17?,18?,19+,20+/m0/s1
CJDRUOGAGYHKKD-GHVJXGQCSA-N
C20H26N2O2
326.199428072
OC1N2C3CC(C1CC)C4C(O)C5(C=6C=CC=CC6N(C)C35)CC24

Mass Spectral Metadata

NameValue
CB000125
2018.04.04
Nogawa T, Okano A, CSRS, RIKEN
BY-CC
326.4424
ABSciex API3200 LC/MS system
LC-ESI-QQQ
MS1
positive
3.4300293952419363
0.8680885411121597
[M+H]+
327.207398072
0.0 ppm
0.0 Da