CID 9611314

2-(2,3-dichlorophenoxy)-n'-{(e)-[3-(4-methoxyphenyl)-1-phenyl-1h-pyrazol-4-yl]methylidene}acetohydrazide

Structural Information

Molecular Formula
C25H20Cl2N4O3
SMILES
COC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)COC3=C(C(=CC=C3)Cl)Cl)C4=CC=CC=C4
InChI
InChI=1S/C25H20Cl2N4O3/c1-33-20-12-10-17(11-13-20)25-18(15-31(30-25)19-6-3-2-4-7-19)14-28-29-23(32)16-34-22-9-5-8-21(26)24(22)27/h2-15H,16H2,1H3,(H,29,32)/b28-14+
InChIKey
XJPGCQYNHMXFDL-CCVNUDIWSA-N
Compound name
2-(2,3-dichlorophenoxy)-N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.09125 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.09853 217.2
[M+Na]+ 517.08047 225.2
[M-H]- 493.08397 228.1
[M+NH4]+ 512.12507 224.2
[M+K]+ 533.05441 217.7
[M+H-H2O]+ 477.08851 205.0
[M+HCOO]- 539.08945 231.8
[M+CH3COO]- 553.10510 225.5
[M+Na-2H]- 515.06592 217.0
[M]+ 494.09070 224.8
[M]- 494.09180 224.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.