CID 6123864

634896-43-8

Structural Information

Molecular Formula
C25H20ClFN4O2
SMILES
C/C(=N\NC(=O)C1=CC(=NN1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl)/C4=CC=C(C=C4)F
InChI
InChI=1S/C25H20ClFN4O2/c1-16(18-4-10-21(27)11-5-18)28-31-25(32)24-14-23(29-30-24)19-6-12-22(13-7-19)33-15-17-2-8-20(26)9-3-17/h2-14H,15H2,1H3,(H,29,30)(H,31,32)/b28-16+
InChIKey
PMVMNMAEZBMDQE-LQKURTRISA-N
Compound name
3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.1259 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.13318 210.6
[M+Na]+ 485.11512 224.5
[M+NH4]+ 480.15972 216.1
[M+K]+ 501.08906 217.5
[M-H]- 461.11862 216.6
[M+Na-2H]- 483.10057 220.4
[M]+ 462.12535 214.4
[M]- 462.12645 214.4
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.