CID 6869480

3-(4-(benzyloxy)phenyl)-n'-(2-ethoxybenzylidene)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C26H24N4O3
SMILES
CCOC1=CC=CC=C1/C=N/NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C26H24N4O3/c1-2-32-25-11-7-6-10-21(25)17-27-30-26(31)24-16-23(28-29-24)20-12-14-22(15-13-20)33-18-19-8-4-3-5-9-19/h3-17H,2,18H2,1H3,(H,28,29)(H,30,31)/b27-17+
InChIKey
ZTVOVEHIXZZISD-WPWMEQJKSA-N
Compound name
N-[(E)-(2-ethoxyphenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.18484 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.19212 204.9
[M+Na]+ 463.17406 209.1
[M-H]- 439.17756 214.8
[M+NH4]+ 458.21866 211.3
[M+K]+ 479.14800 202.7
[M+H-H2O]+ 423.18210 192.1
[M+HCOO]- 485.18304 227.6
[M+CH3COO]- 499.19869 212.8
[M+Na-2H]- 461.15951 207.0
[M]+ 440.18429 206.1
[M]- 440.18539 206.1
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.