CID 9648371
4-{(e)-[2-(2-{2-[(cyclohexylamino)carbonyl]anilino}-2-oxoacetyl)hydrazono]methyl}phenyl 2,4-dichlorobenzoate
Structural Information
- Molecular Formula
- C29H26Cl2N4O5
- SMILES
- C1CCC(CC1)NC(=O)C2=CC=CC=C2NC(=O)C(=O)N/N=C/C3=CC=C(C=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl
- InChI
- InChI=1S/C29H26Cl2N4O5/c30-19-12-15-22(24(31)16-19)29(39)40-21-13-10-18(11-14-21)17-32-35-28(38)27(37)34-25-9-5-4-8-23(25)26(36)33-20-6-2-1-3-7-20/h4-5,8-17,20H,1-3,6-7H2,(H,33,36)(H,34,37)(H,35,38)/b32-17+
- InChIKey
- XGLGJSIVMCZQDD-VTNSRFBWSA-N
- Compound name
- [4-[(E)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 581.13533 | 234.0 |
[M+Na]+ | 603.11727 | 235.0 |
[M-H]- | 579.12077 | 245.3 |
[M+NH4]+ | 598.16187 | 237.0 |
[M+K]+ | 619.09121 | 230.2 |
[M+H-H2O]+ | 563.12531 | 223.4 |
[M+HCOO]- | 625.12625 | 245.7 |
[M+CH3COO]- | 639.14190 | 260.7 |
[M+Na-2H]- | 601.10272 | 231.4 |
[M]+ | 580.12750 | 235.2 |
[M]- | 580.12860 | 235.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.