CID 135615774

302918-66-7

Structural Information

Molecular Formula
C25H22N4O4
SMILES
COC1=CC=CC(=C1O)/C=N/NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C25H22N4O4/c1-32-23-9-5-8-19(24(23)30)15-26-29-25(31)22-14-21(27-28-22)18-10-12-20(13-11-18)33-16-17-6-3-2-4-7-17/h2-15,30H,16H2,1H3,(H,27,28)(H,29,31)/b26-15+
InChIKey
FSWIAXMMAFCICC-CVKSISIWSA-N
Compound name
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.1641 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.17138 208.6
[M+Na]+ 465.15332 221.7
[M+NH4]+ 460.19792 213.3
[M+K]+ 481.12726 216.2
[M-H]- 441.15682 215.1
[M+Na-2H]- 463.13877 218.2
[M]+ 442.16355 212.0
[M]- 442.16465 212.0
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.