Spectrum WA001189 for Amiodarone

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/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
IYIKLHRQXLHMJQ-UHFFFAOYSA-N
C25H29I2NO3
645.023689788
O=C(C1=CC(I)=C(OCCN(CC)CC)C(I)=C1)C=2C=3C=CC=CC3OC2CCCC

Mass Spectral Metadata

NameValue
WA001189
2016.01.19 (Created 2007.08.01, modified 2011.05.06)
Nihon Waters K.K.
CC BY-NC
645.02368
ZQ, Waters
LC-ESI-Q
MS1
ESI
18.490 min
2.1 mm id - 3. 5{mu}m XTerra C18MS
35 C
45 V
ignore rel.int. < 5
positive
1.616699471921122
0.5706239790634855