CID 32046

Brn 0856037

Structural Information

Molecular Formula
C25H21N3O3
SMILES
CCOC(=O)C1=CC=C(C=C1)N=CC2=C(NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H21N3O3/c1-2-31-25(30)19-13-15-20(16-14-19)26-17-22-23(18-9-5-3-6-10-18)27-28(24(22)29)21-11-7-4-8-12-21/h3-17,27H,2H2,1H3
InChIKey
SDMPCIKWMYGJRK-UHFFFAOYSA-N
Compound name
ethyl 4-[(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.1583 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.16558 199.7
[M+Na]+ 434.14752 206.6
[M-H]- 410.15102 210.2
[M+NH4]+ 429.19212 207.9
[M+K]+ 450.12146 199.5
[M+H-H2O]+ 394.15556 187.6
[M+HCOO]- 456.15650 221.8
[M+CH3COO]- 470.17215 208.8
[M+Na-2H]- 432.13297 200.4
[M]+ 411.15775 200.9
[M]- 411.15885 200.9
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.