CID 6869484

403649-46-7

Structural Information

Molecular Formula
C25H22N4O3
SMILES
COC1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C25H22N4O3/c1-31-21-11-7-18(8-12-21)16-26-29-25(30)24-15-23(27-28-24)20-9-13-22(14-10-20)32-17-19-5-3-2-4-6-19/h2-16H,17H2,1H3,(H,27,28)(H,29,30)/b26-16+
InChIKey
SUFYWWLJUWYADP-WGOQTCKBSA-N
Compound name
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-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 200.7
[M+Na]+ 449.15842 205.4
[M-H]- 425.16192 210.8
[M+NH4]+ 444.20302 207.7
[M+K]+ 465.13236 199.1
[M+H-H2O]+ 409.16646 188.1
[M+HCOO]- 471.16740 223.8
[M+CH3COO]- 485.18305 209.1
[M+Na-2H]- 447.14387 203.3
[M]+ 426.16865 201.6
[M]- 426.16975 201.6
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.