CID 71587881
Hexyldioxodecyl methyl tyrosinate
Structural Information
- Molecular Formula
- C26H41NO5
- SMILES
- CCCCCCCC(=O)C(CCCCCC)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)OC
- InChI
- InChI=1S/C26H41NO5/c1-4-6-8-10-12-14-24(29)22(13-11-9-7-5-2)25(30)27-23(26(31)32-3)19-20-15-17-21(28)18-16-20/h15-18,22-23,28H,4-14,19H2,1-3H3,(H,27,30)/t22?,23-/m0/s1
- InChIKey
- YGFLLOSFSIJBJL-WCSIJFPASA-N
- Compound name
- methyl (2S)-2-[(2-hexyl-3-oxodecanoyl)amino]-3-(4-hydroxyphenyl)propanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 448.30574 | 217.8 |
[M+Na]+ | 470.28768 | 216.7 |
[M-H]- | 446.29118 | 217.3 |
[M+NH4]+ | 465.33228 | 225.2 |
[M+K]+ | 486.26162 | 213.8 |
[M+H-H2O]+ | 430.29572 | 208.8 |
[M+HCOO]- | 492.29666 | 232.8 |
[M+CH3COO]- | 506.31231 | 236.2 |
[M+Na-2H]- | 468.27313 | 210.3 |
[M]+ | 447.29791 | 223.3 |
[M]- | 447.29901 | 223.3 |
Literature stripe
No literature data available for this compound.