Spectrum CCMSLIB00000078629 for Homatropine Bromide

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
51-56-9, 87-00-3 (free base)
C16H22BrNO3
355.07830566399997
Br.O=C(OC1CC2N(C)C(CC2)C1)C(O)C=3C=CC=CC3
InChI=1S/C16H21NO3.BrH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H/t12-,13-,15?;/m1./s1
DWSGTFTVBLXELC-JAWPBFRBSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
275.152
1
Plate10_1_20_GC1_01_15743.mzXML
MS2
GNPS-SELLECKCHEM-FDA-PART2
negarg, Garg_Neha, Dorrestein
positive
2.294920609473781
0.41213696600914224
276.159
[M+H]+
289424.8446148776 ppm
-79.92727566399998 Da