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 227.4
[M+Na]+ 547.13076 234.2
[M-H]- 523.13426 240.0
[M+NH4]+ 542.17536 231.7
[M+K]+ 563.10470 224.9
[M+H-H2O]+ 507.13880 212.3
[M+HCOO]- 569.13974 245.0
[M+CH3COO]- 583.15539 234.4
[M+Na-2H]- 545.11621 226.9
[M]+ 524.14099 230.1
[M]- 524.14209 230.1
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.