CID 9622942
4-bromo-2-{(e)-[(2-{[(4-chlorophenyl)sulfonyl]amino}benzoyl)hydrazono]methyl}phenyl (2e)-3-phenyl-2-propenoate
Structural Information
- Molecular Formula
- C29H21BrClN3O5S
- SMILES
- C1=CC=C(C=C1)/C=C/C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)Cl
- InChI
- InChI=1S/C29H21BrClN3O5S/c30-22-11-16-27(39-28(35)17-10-20-6-2-1-3-7-20)21(18-22)19-32-33-29(36)25-8-4-5-9-26(25)34-40(37,38)24-14-12-23(31)13-15-24/h1-19,34H,(H,33,36)/b17-10+,32-19+
- InChIKey
- NQKKRWKBPFMEDU-COBXIUJNSA-N
- Compound name
- [4-bromo-2-[(E)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 638.01468 | 229.5 |
[M+Na]+ | 659.99662 | 236.4 |
[M-H]- | 636.00012 | 243.9 |
[M+NH4]+ | 655.04122 | 234.7 |
[M+K]+ | 675.97056 | 222.3 |
[M+H-H2O]+ | 620.00466 | 224.4 |
[M+HCOO]- | 682.00560 | 242.1 |
[M+CH3COO]- | 696.02125 | 258.0 |
[M+Na-2H]- | 657.98207 | 233.1 |
[M]+ | 637.00685 | 252.6 |
[M]- | 637.00795 | 252.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.