| SpectraBase Spectrum ID |
4GAUK5RrFI |
| Name |
5-fluoro MDMB-PICA metabolite 4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.195485516 u |
| Formula |
C20H27FN2O4 |
| InChI |
InChI=1S/C20H27FN2O4/c1-20(2,3)17(19(26)27)22-18(25)15-12-23(10-6-7-13(24)11-21)16-9-5-4-8-14(15)16/h4-5,8-9,12-13,17,24H,6-7,10-11H2,1-3H3,(H,22,25)(H,26,27)/t13?,17-/m1/s1 |
| InChIKey |
ZFYMODMFKRMLJY-LRHAYUFXSA-N |
| Molecular Weight |
378.444 g/mol |
| Quality |
466 |
| SMILES |
N(C(C1=CN(CCCC(O)CF)C2=C1C=CC=C2)=O)[C@](C(O)=O)(C(C)(C)C)[H] |
| SPLASH |
splash10-0udm-4965000000-52367a91d17abf9f41d5 |
| Source of Spectrum |
CAY-2024-322-0 |
| Synonyms |
(2S)-2-(1-(5-fluoro-4-hydroxypentyl)-1H-indole-3-carboxamido)-3,3-dimethylbutanoic acid
(2S)-2-{[1-(5-fluoro-4-hydroxypentyl)-1H-indol-3-yl]formamido}-3,3-dimethylbutanoic acid |
| Wiley ID |
1890537 |
