CID 6869481

3-(4-(benzyloxy)phenyl)-n'-(4-ethylbenzylidene)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C26H24N4O2
SMILES
CCC1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C26H24N4O2/c1-2-19-8-10-20(11-9-19)17-27-30-26(31)25-16-24(28-29-25)22-12-14-23(15-13-22)32-18-21-6-4-3-5-7-21/h3-17H,2,18H2,1H3,(H,28,29)(H,30,31)/b27-17+
InChIKey
MYXRJXMYSDVPGA-WPWMEQJKSA-N
Compound name
N-[(E)-(4-ethylphenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.1899 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.19718 206.6
[M+Na]+ 447.17912 220.7
[M+NH4]+ 442.22372 212.6
[M+K]+ 463.15306 213.2
[M-H]- 423.18262 214.3
[M+Na-2H]- 445.16457 217.6
[M]+ 424.18935 210.7
[M]- 424.19045 210.7
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.