CID 6888418

634896-10-9

Structural Information

Molecular Formula
C26H23ClN4O3
SMILES
CCOC1=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/C26H23ClN4O3/c1-2-33-22-11-5-18(6-12-22)16-28-31-26(32)25-15-24(29-30-25)20-7-13-23(14-8-20)34-17-19-3-9-21(27)10-4-19/h3-16H,2,17H2,1H3,(H,29,30)(H,31,32)/b28-16+
InChIKey
UNQRFBZSNGMCOS-LQKURTRISA-N
Compound name
3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(4-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.14587 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.15315 216.5
[M+Na]+ 497.13509 231.3
[M+NH4]+ 492.17969 222.3
[M+K]+ 513.10903 223.6
[M-H]- 473.13859 223.9
[M+Na-2H]- 495.12054 226.8
[M]+ 474.14532 220.9
[M]- 474.14642 220.9
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.