Name | Value |
---|---|
QBUVFDKTZJNUPP-BBROENKCSA-N | |
C33H34N4O6 | |
582.247834808 | |
O=C(O)CCC=1C(N=C(C=C2N=C(O)C(C=C)=C2C)C1C)=CC=3NC(C=C4N=C(O)C(=C4C=C)C)=C(C3CCC(=O)O)C | |
InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,35H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15- |
Name | Value |
---|---|
M + 0 | |
15 eV | |
2.35005 | |
positive | |
194 | |
35 eV | |
LC-ESI-QTOF | |
SCIEX TripleTOF 6600 | |
Michael Sa and Megan Showalter | |
MS2 | |
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm) | |
1.1664638574285044 | |
0.2774195317034762 | |
583.2546 | |
[M+H]+ | |
2.065663948490635 ppm | |
-0.001204808000011326 Da |