CID 51060468
2-methoxy-4-(2-palmitoylcarbohydrazonoyl)phenyl 4-chlorobenzoate
Structural Information
- Molecular Formula
- C31H43ClN2O4
- SMILES
- CCCCCCCCCCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)Cl)OC
- InChI
- InChI=1S/C31H43ClN2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-30(35)34-33-24-25-17-22-28(29(23-25)37-2)38-31(36)26-18-20-27(32)21-19-26/h17-24H,3-16H2,1-2H3,(H,34,35)/b33-24+
- InChIKey
- ZQYLVGXVYQLBSV-IWBSIUBASA-N
- Compound name
- [4-[(E)-(hexadecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-chlorobenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 543.29842 | 240.6 |
[M+Na]+ | 565.28036 | 241.9 |
[M-H]- | 541.28386 | 245.9 |
[M+NH4]+ | 560.32496 | 246.5 |
[M+K]+ | 581.25430 | 235.2 |
[M+H-H2O]+ | 525.28840 | 229.7 |
[M+HCOO]- | 587.28934 | 257.5 |
[M+CH3COO]- | 601.30499 | 257.0 |
[M+Na-2H]- | 563.26581 | 236.0 |
[M]+ | 542.29059 | 251.5 |
[M]- | 542.29169 | 251.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.