CID 9611701

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

Structural Information

Molecular Formula
C27H24Cl2N4O3
SMILES
CCCOC1=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/C27H24Cl2N4O3/c1-2-15-35-22-13-11-19(12-14-22)27-20(17-33(32-27)21-7-4-3-5-8-21)16-30-31-25(34)18-36-24-10-6-9-23(28)26(24)29/h3-14,16-17H,2,15,18H2,1H3,(H,31,34)/b30-16+
InChIKey
CHZMYSNVJFWDTG-OKCVXOCRSA-N
Compound name
2-(2,3-dichlorophenoxy)-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.12256 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.12984 225.7
[M+Na]+ 545.11178 232.8
[M-H]- 521.11528 236.1
[M+NH4]+ 540.15638 231.5
[M+K]+ 561.08572 224.8
[M+H-H2O]+ 505.11982 213.0
[M+HCOO]- 567.12076 239.6
[M+CH3COO]- 581.13641 246.6
[M+Na-2H]- 543.09723 224.5
[M]+ 522.12201 233.8
[M]- 522.12311 233.8
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.