| SpectraBase Spectrum ID |
9NbbqmegemN |
| Name |
Delavirdine |
| CAS Registry Number |
136817-59-9 |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-485.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C22H28N6O3S |
| InChI |
InChI=1S/C23H32N6O2S/c1-16(2)25-21-6-5-9-24-23(21)29-12-10-28(11-13-29)17(3)22-15-18-14-19(27-32(4,30)31)7-8-20(18)26-22/h5-9,14-17,25-27H,10-13H2,1-4H3 |
| InChIKey |
IPUBHBAWBLONOD-UHFFFAOYSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
N(C=1C=C2C=C(C(N3CCN(C=4C(=CC=CN4)NC(C)C)CC3)C)NC2=CC1)S(=O)(=O)C |
| Sample Comments |
The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar |
| Spectrum Type |
ms2 |
| Technique |
HCD |
