CID 68509823
Dtxsid701019687
Structural Information
- Molecular Formula
- C40H68N2O4
- SMILES
- CCCCCCCCCCCC(=O)OCC(C)(C)C=NC1=CC=C(C=C1)N=CC(C)(C)COC(=O)CCCCCCCCCCC
- InChI
- InChI=1S/C40H68N2O4/c1-7-9-11-13-15-17-19-21-23-25-37(43)45-33-39(3,4)31-41-35-27-29-36(30-28-35)42-32-40(5,6)34-46-38(44)26-24-22-20-18-16-14-12-10-8-2/h27-32H,7-26,33-34H2,1-6H3
- InChIKey
- YIDAJHZSLYLUJW-UHFFFAOYSA-N
- Compound name
- [3-[4-[(3-dodecanoyloxy-2,2-dimethylpropylidene)amino]phenyl]imino-2,2-dimethylpropyl] dodecanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 641.52518 | 256.2 |
[M+Na]+ | 663.50712 | 268.4 |
[M-H]- | 639.51062 | 252.7 |
[M+NH4]+ | 658.55172 | 265.1 |
[M+K]+ | 679.48106 | 267.2 |
[M+H-H2O]+ | 623.51516 | 255.1 |
[M+HCOO]- | 685.51610 | 269.5 |
[M+CH3COO]- | 699.53175 | 282.6 |
[M+Na-2H]- | 661.49257 | 243.4 |
[M]+ | 640.51735 | 257.5 |
[M]- | 640.51845 | 257.5 |
Literature stripe
No literature data available for this compound.