CID 51061060
2-((4-chlorobenzyl)oxy)-n'-((1-phenyl-3-(4-propoxyphenyl)-1h-pyrazol-4-yl)methylene)benzohydrazide
Structural Information
- Molecular Formula
- C33H29ClN4O3
- SMILES
- CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)C3=CC=CC=C3OCC4=CC=C(C=C4)Cl)C5=CC=CC=C5
- InChI
- InChI=1S/C33H29ClN4O3/c1-2-20-40-29-18-14-25(15-19-29)32-26(22-38(37-32)28-8-4-3-5-9-28)21-35-36-33(39)30-10-6-7-11-31(30)41-23-24-12-16-27(34)17-13-24/h3-19,21-22H,2,20,23H2,1H3,(H,36,39)/b35-21+
- InChIKey
- HQAHTNUNJFLCNV-XICOUIIWSA-N
- Compound name
- 2-[(4-chlorophenyl)methoxy]-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 565.20008 | 239.3 |
[M+Na]+ | 587.18202 | 244.1 |
[M-H]- | 563.18552 | 252.7 |
[M+NH4]+ | 582.22662 | 241.8 |
[M+K]+ | 603.15596 | 235.8 |
[M+H-H2O]+ | 547.19006 | 224.3 |
[M+HCOO]- | 609.19100 | 256.9 |
[M+CH3COO]- | 623.20665 | 245.3 |
[M+Na-2H]- | 585.16747 | 238.0 |
[M]+ | 564.19225 | 244.8 |
[M]- | 564.19335 | 244.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.