CID 6888757

634896-03-0

Structural Information

Molecular Formula
C26H23ClN4O2
SMILES
CCC1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H23ClN4O2/c1-2-18-3-5-19(6-4-18)16-28-31-26(32)25-15-24(29-30-25)21-9-13-23(14-10-21)33-17-20-7-11-22(27)12-8-20/h3-16H,2,17H2,1H3,(H,29,30)(H,31,32)/b28-16+
InChIKey
PSAFEKFYADVJST-LQKURTRISA-N
Compound name
3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(4-ethylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.15094 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.15822 213.9
[M+Na]+ 481.14016 229.2
[M+NH4]+ 476.18476 220.2
[M+K]+ 497.11410 220.9
[M-H]- 457.14366 221.7
[M+Na-2H]- 479.12561 224.6
[M]+ 458.15039 218.5
[M]- 458.15149 218.5
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.