CID 6888955

3-{4-[(2-chlorobenzyl)oxy]phenyl}-n'-[(e)-(3-nitrophenyl)methylidene]-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C24H18ClN5O4
SMILES
C1=CC=C(C(=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)N/N=C/C4=CC(=CC=C4)[N+](=O)[O-])Cl
InChI
InChI=1S/C24H18ClN5O4/c25-21-7-2-1-5-18(21)15-34-20-10-8-17(9-11-20)22-13-23(28-27-22)24(31)29-26-14-16-4-3-6-19(12-16)30(32)33/h1-14H,15H2,(H,27,28)(H,29,31)/b26-14+
InChIKey
IBPKIJSGERTRHE-VULFUBBASA-N
Compound name
3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-(3-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.10474 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.11202 210.2
[M+Na]+ 498.09396 225.0
[M+NH4]+ 493.13856 215.5
[M+K]+ 514.06790 220.9
[M-H]- 474.09746 218.5
[M+Na-2H]- 496.07941 220.3
[M]+ 475.10419 214.6
[M]- 475.10529 214.6
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.