CID 9960925
Mosedipimod
Structural Information
- Molecular Formula
- C39H70O6
- SMILES
- CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
- InChI
- InChI=1S/C39H70O6/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-39(42)45-37(34-43-36(3)40)35-44-38(41)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2/h12,14,18-19,37H,4-11,13,15-17,20-35H2,1-3H3/b14-12-,19-18-
- InChIKey
- GAKUNXBDVGLOFS-DUZKARGPSA-N
- Compound name
- (1-acetyloxy-3-hexadecanoyloxypropan-2-yl) (9Z,12Z)-octadeca-9,12-dienoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 635.52448 | 263.9 |
[M+Na]+ | 657.50642 | 270.8 |
[M-H]- | 633.50992 | 253.7 |
[M+NH4]+ | 652.55102 | 271.5 |
[M+K]+ | 673.48036 | 272.6 |
[M+H-H2O]+ | 617.51446 | 265.9 |
[M+HCOO]- | 679.51540 | 266.5 |
[M+CH3COO]- | 693.53105 | 270.3 |
[M+Na-2H]- | 655.49187 | 248.8 |
[M]+ | 634.51665 | 264.5 |
[M]- | 634.51775 | 264.5 |