CID 129909084
Eutypellazine i
Structural Information
- Molecular Formula
- C19H18N2O3S
- SMILES
- CS[C@@]1(C(=O)N/C(=C\C2=CC=CC=C2)/C(=O)N1)CC3=CC=CC=C3O
- InChI
- InChI=1S/C19H18N2O3S/c1-25-19(12-14-9-5-6-10-16(14)22)18(24)20-15(17(23)21-19)11-13-7-3-2-4-8-13/h2-11,22H,12H2,1H3,(H,20,24)(H,21,23)/b15-11-/t19-/m1/s1
- InChIKey
- NZNWTLCVZHTAQS-ILCZHQDMSA-N
- Compound name
- (3R,6Z)-6-benzylidene-3-[(2-hydroxyphenyl)methyl]-3-methylsulfanylpiperazine-2,5-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 355.11110 | 182.9 |
[M+Na]+ | 377.09304 | 189.7 |
[M-H]- | 353.09654 | 185.6 |
[M+NH4]+ | 372.13764 | 193.2 |
[M+K]+ | 393.06698 | 181.3 |
[M+H-H2O]+ | 337.10108 | 174.4 |
[M+HCOO]- | 399.10202 | 191.8 |
[M+CH3COO]- | 413.11767 | 190.7 |
[M+Na-2H]- | 375.07849 | 182.9 |
[M]+ | 354.10327 | 178.8 |
[M]- | 354.10437 | 178.8 |
Literature stripe
Patent stripe
No patent data available for this compound.