CID 51061043

4-((4-chlorobenzyl)oxy)-n'-((3-(4-fluorophenyl)-1-phenyl-1h-pyrazol-4-yl)methylene)benzohydrazide

Structural Information

Molecular Formula
C30H22ClFN4O2
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)/C=N/NC(=O)C4=CC=C(C=C4)OCC5=CC=C(C=C5)Cl
InChI
InChI=1S/C30H22ClFN4O2/c31-25-12-6-21(7-13-25)20-38-28-16-10-23(11-17-28)30(37)34-33-18-24-19-36(27-4-2-1-3-5-27)35-29(24)22-8-14-26(32)15-9-22/h1-19H,20H2,(H,34,37)/b33-18+
InChIKey
OWUKEBFNGSRBBY-DPNNOFEESA-N
Compound name
4-[(4-chlorophenyl)methoxy]-N-[(E)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.14154 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.14882 229.9
[M+Na]+ 547.13076 246.7
[M+NH4]+ 542.17536 236.0
[M+K]+ 563.10470 237.1
[M-H]- 523.13426 239.2
[M+Na-2H]- 545.11621 242.5
[M]+ 524.14099 235.3
[M]- 524.14209 235.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.