CID 156962926
7-(3-methyl-5-propylfuran-2-yl)heptanoylcarnitine
Structural Information
- Molecular Formula
- C22H38NO5
- SMILES
- CCCC1=CC(=C(O1)CCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C)C
- InChI
- InChI=1S/C22H37NO5/c1-6-11-18-14-17(2)20(27-18)12-9-7-8-10-13-22(26)28-19(15-21(24)25)16-23(3,4)5/h14,19H,6-13,15-16H2,1-5H3/p+1
- InChIKey
- JRXBCSRPQKVPQV-UHFFFAOYSA-O
- Compound name
- [3-carboxy-2-[7-(3-methyl-5-propylfuran-2-yl)heptanoyloxy]propyl]-trimethylazanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 397.28228 | 202.3 |
[M+Na]+ | 419.26422 | 204.7 |
[M-H]- | 395.26772 | 205.4 |
[M+NH4]+ | 414.30882 | 213.8 |
[M+K]+ | 435.23816 | 198.3 |
[M+H-H2O]+ | 379.27226 | 198.2 |
[M+HCOO]- | 441.27320 | 219.7 |
[M+CH3COO]- | 455.28885 | 220.7 |
[M+Na-2H]- | 417.24967 | 202.0 |
[M]+ | 396.27445 | 209.5 |
[M]- | 396.27555 | 209.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.