CID 9627700
2-methoxy-4-(2-(4-nitrobenzoyl)carbohydrazonoyl)phenyl 2-chlorobenzoate
Structural Information
- Molecular Formula
- C22H16ClN3O6
- SMILES
- COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CC=C3Cl
- InChI
- InChI=1S/C22H16ClN3O6/c1-31-20-12-14(6-11-19(20)32-22(28)17-4-2-3-5-18(17)23)13-24-25-21(27)15-7-9-16(10-8-15)26(29)30/h2-13H,1H3,(H,25,27)/b24-13+
- InChIKey
- XREKDVLMEMEGMV-ZMOGYAJESA-N
- Compound name
- [2-methoxy-4-[(E)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 454.08003 | 205.1 |
[M+Na]+ | 476.06197 | 209.3 |
[M-H]- | 452.06547 | 215.5 |
[M+NH4]+ | 471.10657 | 212.6 |
[M+K]+ | 492.03591 | 201.5 |
[M+H-H2O]+ | 436.07001 | 199.1 |
[M+HCOO]- | 498.07095 | 226.7 |
[M+CH3COO]- | 512.08660 | 229.3 |
[M+Na-2H]- | 474.04742 | 208.6 |
[M]+ | 453.07220 | 209.1 |
[M]- | 453.07330 | 209.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.