CID 9625487

634897-45-3

Structural Information

Molecular Formula
C25H20Cl2N4O2
SMILES
C/C(=N\NC(=O)C1=CC(=NN1)C2=CC=C(C=C2)OCC3=CC=CC=C3Cl)/C4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H20Cl2N4O2/c1-16(17-6-10-20(26)11-7-17)28-31-25(32)24-14-23(29-30-24)18-8-12-21(13-9-18)33-15-19-4-2-3-5-22(19)27/h2-14H,15H2,1H3,(H,29,30)(H,31,32)/b28-16+
InChIKey
GSYHVEBYOTXNMR-LQKURTRISA-N
Compound name
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-3-[4-[(2-chlorophenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.09634 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.10362 214.7
[M+Na]+ 501.08556 230.3
[M+NH4]+ 496.13016 221.2
[M+K]+ 517.05950 222.2
[M-H]- 477.08906 222.1
[M+Na-2H]- 499.07101 225.0
[M]+ 478.09579 219.6
[M]- 478.09689 219.6
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.