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]+ 425.197176 202.6
[M+Na]+ 447.179118 207.2
[M-H]- 423.182624 212.4
[M+NH4]+ 442.223723 209.8
[M+K]+ 463.153058 199.8
[M+H-H2O]+ 407.187160 190.0
[M+HCOO]- 469.188101 225.2
[M+CH3COO]- 483.203751 210.7
[M+Na-2H]- 445.164566 204.5
[M]+ 424.18935142 202.5
[M]- 424.19044858 202.5
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.