CID 135842114

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

Structural Information

Molecular Formula
C28H21ClN4O3
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)C3=CC(=NN3)C4=CC=CC=C4OCC5=CC=CC=C5Cl)O
InChI
InChI=1S/C28H21ClN4O3/c29-23-11-5-2-8-19(23)17-36-27-12-6-4-10-21(27)24-15-25(32-31-24)28(35)33-30-16-22-20-9-3-1-7-18(20)13-14-26(22)34/h1-16,34H,17H2,(H,31,32)(H,33,35)/b30-16+
InChIKey
PTNWPHGVLSKLIC-OKCVXOCRSA-N
Compound name
3-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.13022 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.13750 217.0
[M+Na]+ 519.11944 224.5
[M-H]- 495.12294 227.1
[M+NH4]+ 514.16404 222.7
[M+K]+ 535.09338 215.5
[M+H-H2O]+ 479.12748 204.9
[M+HCOO]- 541.12842 233.7
[M+CH3COO]- 555.14407 224.5
[M+Na-2H]- 517.10489 219.6
[M]+ 496.12967 220.7
[M]- 496.13077 220.7
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.