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]+ 441.192116 204.9
[M+Na]+ 463.174058 209.1
[M-H]- 439.177564 214.8
[M+NH4]+ 458.218663 211.3
[M+K]+ 479.147998 202.7
[M+H-H2O]+ 423.182100 192.1
[M+HCOO]- 485.183041 227.6
[M+CH3COO]- 499.198691 212.8
[M+Na-2H]- 461.159506 207.0
[M]+ 440.18429142 206.1
[M]- 440.18538858 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.