CID 6888481
N'-(4-butoxybenzylidene)-3-(4-((2-cl-benzyl)oxy)ph)-1h-pyrazole-5-carbohydrazide
Structural Information
- Molecular Formula
- C28H27ClN4O3
- SMILES
- CCCCOC1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)OCC4=CC=CC=C4Cl
- InChI
- InChI=1S/C28H27ClN4O3/c1-2-3-16-35-23-12-8-20(9-13-23)18-30-33-28(34)27-17-26(31-32-27)21-10-14-24(15-11-21)36-19-22-6-4-5-7-25(22)29/h4-15,17-18H,2-3,16,19H2,1H3,(H,31,32)(H,33,34)/b30-18+
- InChIKey
- FLIXGIQVHZVTJH-UXHLAJHPSA-N
- Compound name
- N-[(E)-(4-butoxyphenyl)methylideneamino]-3-[4-[(2-chlorophenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 503.18443 | 222.0 |
[M+Na]+ | 525.16637 | 226.9 |
[M-H]- | 501.16987 | 231.5 |
[M+NH4]+ | 520.21097 | 227.0 |
[M+K]+ | 541.14031 | 218.7 |
[M+H-H2O]+ | 485.17441 | 209.1 |
[M+HCOO]- | 547.17535 | 239.3 |
[M+CH3COO]- | 561.19100 | 242.7 |
[M+Na-2H]- | 523.15182 | 221.6 |
[M]+ | 502.17660 | 226.7 |
[M]- | 502.17770 | 226.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.