CID 9643766

634897-55-5

Structural Information

Molecular Formula
C26H23ClN4O2
SMILES
CC1=CC=C(C=C1)/C(=N/NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)OCC4=CC=CC=C4Cl)/C
InChI
InChI=1S/C26H23ClN4O2/c1-17-7-9-19(10-8-17)18(2)28-31-26(32)25-15-24(29-30-25)20-11-13-22(14-12-20)33-16-21-5-3-4-6-23(21)27/h3-15H,16H2,1-2H3,(H,29,30)(H,31,32)/b28-18+
InChIKey
ZEWALWYHVGLRRQ-MTDXEUNCSA-N
Compound name
3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.15094 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.15822 213.1
[M+Na]+ 481.14016 228.0
[M+NH4]+ 476.18476 219.3
[M+K]+ 497.11410 220.6
[M-H]- 457.14366 220.7
[M+Na-2H]- 479.12561 223.5
[M]+ 458.15039 217.6
[M]- 458.15149 217.6
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.