CID 135641930

634896-65-4

Structural Information

Molecular Formula
C25H22N4O3
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)N/N=C/C4=CC=CC=C4O
InChI
InChI=1S/C25H22N4O3/c1-17-6-8-18(9-7-17)16-32-21-12-10-19(11-13-21)22-14-23(28-27-22)25(31)29-26-15-20-4-2-3-5-24(20)30/h2-15,30H,16H2,1H3,(H,27,28)(H,29,31)/b26-15+
InChIKey
YZJLHONHQXBLBU-CVKSISIWSA-N
Compound name
N-[(E)-(2-hydroxyphenyl)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

426.1692 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.17648 205.8
[M+Na]+ 449.15842 219.4
[M+NH4]+ 444.20302 211.0
[M+K]+ 465.13236 213.2
[M-H]- 425.16192 212.7
[M+Na-2H]- 447.14387 215.8
[M]+ 426.16865 209.4
[M]- 426.16975 209.4
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.