CID 6888592

634896-64-3

Structural Information

Molecular Formula
C26H24N4O3
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)N/N=C/C4=CC=C(C=C4)OC
InChI
InChI=1S/C26H24N4O3/c1-18-3-5-20(6-4-18)17-33-23-13-9-21(10-14-23)24-15-25(29-28-24)26(31)30-27-16-19-7-11-22(32-2)12-8-19/h3-16H,17H2,1-2H3,(H,28,29)(H,30,31)/b27-16+
InChIKey
IJHCSIZCGVNVNJ-JVWAILMASA-N
Compound name
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-[4-[(4-methylphenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.18484 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.19212 209.8
[M+Na]+ 463.17406 223.8
[M+NH4]+ 458.21866 215.3
[M+K]+ 479.14800 217.1
[M-H]- 439.17756 217.2
[M+Na-2H]- 461.15951 220.2
[M]+ 440.18429 213.8
[M]- 440.18539 213.8
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.