CID 9681976

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

Structural Information

Molecular Formula
C24H17Cl2FN4O2
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)/C=N/NC(=O)COC4=C(C(=CC=C4)Cl)Cl
InChI
InChI=1S/C24H17Cl2FN4O2/c25-20-7-4-8-21(23(20)26)33-15-22(32)29-28-13-17-14-31(19-5-2-1-3-6-19)30-24(17)16-9-11-18(27)12-10-16/h1-14H,15H2,(H,29,32)/b28-13+
InChIKey
ALHUWXLVKPWDDZ-XODNFHPESA-N
Compound name
2-(2,3-dichlorophenoxy)-N-[(E)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.07126 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.07854 213.0
[M+Na]+ 505.06048 221.8
[M-H]- 481.06398 222.5
[M+NH4]+ 500.10508 220.5
[M+K]+ 521.03442 213.0
[M+H-H2O]+ 465.06852 200.0
[M+HCOO]- 527.06946 226.7
[M+CH3COO]- 541.08511 221.2
[M+Na-2H]- 503.04593 212.5
[M]+ 482.07071 218.1
[M]- 482.07181 218.1
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.