CID 5272139
3-methyl-5-(7-{4-[(4r)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)-1,2-oxazole
Structural Information
- Molecular Formula
- C21H28N2O3
- SMILES
- C[C@@H]1COC(=N1)C2=CC=C(C=C2)OCCCCCCCC3=CC(=NO3)C
- InChI
- InChI=1S/C21H28N2O3/c1-16-14-20(26-23-16)8-6-4-3-5-7-13-24-19-11-9-18(10-12-19)21-22-17(2)15-25-21/h9-12,14,17H,3-8,13,15H2,1-2H3/t17-/m1/s1
- InChIKey
- NEAZMARKCJKUMF-QGZVFWFLSA-N
- Compound name
- 3-methyl-5-[7-[4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]heptyl]-1,2-oxazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 357.21728 | 187.6 |
[M+Na]+ | 379.19922 | 193.9 |
[M-H]- | 355.20272 | 195.7 |
[M+NH4]+ | 374.24382 | 198.6 |
[M+K]+ | 395.17316 | 191.8 |
[M+H-H2O]+ | 339.20726 | 178.5 |
[M+HCOO]- | 401.20820 | 207.2 |
[M+CH3COO]- | 415.22385 | 213.9 |
[M+Na-2H]- | 377.18467 | 186.7 |
[M]+ | 356.20945 | 194.2 |
[M]- | 356.21055 | 194.2 |