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 202.6
[M+Na]+ 447.17912 207.2
[M-H]- 423.18262 212.4
[M+NH4]+ 442.22372 209.8
[M+K]+ 463.15306 199.8
[M+H-H2O]+ 407.18716 190.0
[M+HCOO]- 469.18810 225.2
[M+CH3COO]- 483.20375 210.7
[M+Na-2H]- 445.16457 204.5
[M]+ 424.18935 202.5
[M]- 424.19045 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.