CID 51060332
5-((4-chlorobenzoyl)oxy)-2-(2-nonanoylcarbohydrazonoyl)phenyl 4-chlorobenzoate
Structural Information
- Molecular Formula
- C30H30Cl2N2O5
- SMILES
- CCCCCCCCC(=O)N/N=C/C1=C(C=C(C=C1)OC(=O)C2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)Cl
- InChI
- InChI=1S/C30H30Cl2N2O5/c1-2-3-4-5-6-7-8-28(35)34-33-20-23-13-18-26(38-29(36)21-9-14-24(31)15-10-21)19-27(23)39-30(37)22-11-16-25(32)17-12-22/h9-20H,2-8H2,1H3,(H,34,35)/b33-20+
- InChIKey
- LIMCQCSDRBXFIF-FMFFXOCNSA-N
- Compound name
- [3-(4-chlorobenzoyl)oxy-4-[(E)-(nonanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 569.16048 | 237.1 |
[M+Na]+ | 591.14242 | 241.2 |
[M-H]- | 567.14592 | 246.2 |
[M+NH4]+ | 586.18702 | 242.1 |
[M+K]+ | 607.11636 | 234.7 |
[M+H-H2O]+ | 551.15046 | 226.7 |
[M+HCOO]- | 613.15140 | 250.1 |
[M+CH3COO]- | 627.16705 | 256.2 |
[M+Na-2H]- | 589.12787 | 233.5 |
[M]+ | 568.15265 | 247.3 |
[M]- | 568.15375 | 247.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.