CID 83950
Eucaf
Structural Information
- Molecular Formula
- C31H48Cl2N2O8
- SMILES
- CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OC[C@H]([C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl
- InChI
- InChI=1S/C31H48Cl2N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(36)43-23-28(37)42-22-26(34-31(39)30(32)33)29(38)24-18-20-25(21-19-24)35(40)41/h18-21,26,29-30,38H,2-17,22-23H2,1H3,(H,34,39)/t26-,29-/m1/s1
- InChIKey
- QEFDFGVDVZTFAK-GGXMVOPNSA-N
- Compound name
- [2-[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-2-oxoethyl] octadecanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 647.28603 | 242.2 |
[M+Na]+ | 669.26797 | 251.5 |
[M-H]- | 645.27147 | 245.1 |
[M+NH4]+ | 664.31257 | 253.7 |
[M+K]+ | 685.24191 | 250.7 |
[M+H-H2O]+ | 629.27601 | 238.4 |
[M+HCOO]- | 691.27695 | 242.7 |
[M+CH3COO]- | 705.29260 | 258.3 |
[M+Na-2H]- | 667.25342 | 232.1 |
[M]+ | 646.27820 | 240.4 |
[M]- | 646.27930 | 240.4 |
Literature stripe
No literature data available for this compound.