CID 9636215
4-(2-tetradecanoylcarbohydrazonoyl)phenyl 2-bromobenzoate
Structural Information
- Molecular Formula
- C28H37BrN2O3
- SMILES
- CCCCCCCCCCCCCC(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2Br
- InChI
- InChI=1S/C28H37BrN2O3/c1-2-3-4-5-6-7-8-9-10-11-12-17-27(32)31-30-22-23-18-20-24(21-19-23)34-28(33)25-15-13-14-16-26(25)29/h13-16,18-22H,2-12,17H2,1H3,(H,31,32)/b30-22+
- InChIKey
- GMVFPACNHFHGGA-JBASAIQMSA-N
- Compound name
- [4-[(E)-(tetradecanoylhydrazinylidene)methyl]phenyl] 2-bromobenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 529.20598 | 226.1 |
[M+Na]+ | 551.18792 | 229.6 |
[M-H]- | 527.19142 | 233.5 |
[M+NH4]+ | 546.23252 | 235.2 |
[M+K]+ | 567.16186 | 215.8 |
[M+H-H2O]+ | 511.19596 | 220.3 |
[M+HCOO]- | 573.19690 | 245.3 |
[M+CH3COO]- | 587.21255 | 247.4 |
[M+Na-2H]- | 549.17337 | 224.8 |
[M]+ | 528.19815 | 249.4 |
[M]- | 528.19925 | 249.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.