Name | Value |
---|---|
BCEHBSKCWLPMDN-MGPLVRAMSA-N | |
C16H14F3N5O | |
349.115044728 | |
FC1=CC=C(C(F)=C1)C(O)(CN2N=CN=C2)C(C=3N=CN=CC3F)C | |
InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1 |
Name | Value |
---|---|
M + 0 | |
1.02425 | |
positive | |
91 | |
HCD (NCE 20-30-40%) | |
LC-ESI-QFT | |
Thermo Q Exactive HF | |
Michael Sa and Megan Showalter | |
MS2 | |
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm) | |
1.4073348142100517 | |
0.5196856445413194 | |
350.1217 | |
[M+H]+ | |
3.7550600263028557 ppm | |
-0.0013147280000112005 Da |