CID 9660226

477734-43-3

Structural Information

Molecular Formula
C24H18ClFN4O2
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)/C=N/NC(=O)COC4=CC=CC=C4Cl
InChI
InChI=1S/C24H18ClFN4O2/c25-21-8-4-5-9-22(21)32-16-23(31)28-27-14-18-15-30(20-6-2-1-3-7-20)29-24(18)17-10-12-19(26)13-11-17/h1-15H,16H2,(H,28,31)/b27-14+
InChIKey
CDAHKTZILWFLNI-MZJWZYIUSA-N
Compound name
2-(2-chlorophenoxy)-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

448.11023 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.11751 206.7
[M+Na]+ 471.09945 221.7
[M+NH4]+ 466.14405 212.8
[M+K]+ 487.07339 213.8
[M-H]- 447.10295 213.4
[M+Na-2H]- 469.08490 217.6
[M]+ 448.10968 210.9
[M]- 448.11078 210.9
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.