Spectrum CCMSLIB00000078457 for DAPT (GSI-IX)

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
208255-80-5
C23H26F2N2O4
432.186063752
O=C(OC(C)(C)C)C(NC(=O)C(NC(=O)CC=1C=C(F)C=C(F)C1)C)C=2C=CC=CC2
InChI=1S/C23H26F2N2O4/c1-14(26-19(28)12-15-10-17(24)13-18(25)11-15)21(29)27-20(16-8-6-5-7-9-16)22(30)31-23(2,3)4/h5-11,13-14,20H,12H2,1-4H3,(H,26,28)(H,27,29)/t14-,20-/m0/s1
DWJXYEABWRJFSP-XOBRGWDASA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
432.186
1
Plate7_21_40_GD3_01_15768.mzXML
MS2
GNPS-SELLECKCHEM-FDA-PART2
negarg, Garg_Neha, Dorrestein
positive
3.2999898003626895
0.5633368823672888
433.193
[M+H]+
2.3863543501674784 ppm
-0.0010337520000121003 Da