CID 6888874

N'-(2-ethoxybenzylidene)-3-(4-((4-me-benzyl)oxy)ph)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C27H26N4O3
SMILES
CCOC1=CC=CC=C1/C=N/NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)OCC4=CC=C(C=C4)C
InChI
InChI=1S/C27H26N4O3/c1-3-33-26-7-5-4-6-22(26)17-28-31-27(32)25-16-24(29-30-25)21-12-14-23(15-13-21)34-18-20-10-8-19(2)9-11-20/h4-17H,3,18H2,1-2H3,(H,29,30)(H,31,32)/b28-17+
InChIKey
FSHKWTZKRDLYIN-OGLMXYFKSA-N
Compound name
N-[(E)-(2-ethoxyphenyl)methylideneamino]-3-[4-[(4-methylphenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.2005 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.20778 214.2
[M+Na]+ 477.18972 228.0
[M+NH4]+ 472.23432 219.5
[M+K]+ 493.16366 221.0
[M-H]- 453.19322 221.5
[M+Na-2H]- 475.17517 224.3
[M]+ 454.19995 218.1
[M]- 454.20105 218.1
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.