CID 51061001

2-((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=CC=C4OCC5=CC=C(C=C5)Cl
InChI
InChI=1S/C30H22ClFN4O2/c31-24-14-10-21(11-15-24)20-38-28-9-5-4-8-27(28)30(37)34-33-18-23-19-36(26-6-2-1-3-7-26)35-29(23)22-12-16-25(32)17-13-22/h1-19H,20H2,(H,34,37)/b33-18+
InChIKey
WPZLGGORJWYUCC-DPNNOFEESA-N
Compound name
2-[(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.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.