CID 32047

23711-54-8

Structural Information

Molecular Formula
C25H21N3O4
SMILES
CCOC(=O)C1=CC=C(C=C1)N=CC2=C(N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C25H21N3O4/c1-2-32-25(31)18-13-15-19(16-14-18)26-17-22-23(29)27(20-9-5-3-6-10-20)28(24(22)30)21-11-7-4-8-12-21/h3-17,29H,2H2,1H3
InChIKey
UPVJEVJFPXUESD-UHFFFAOYSA-N
Compound name
ethyl 4-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.1532 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.16048 202.8
[M+Na]+ 450.14242 210.2
[M-H]- 426.14592 213.7
[M+NH4]+ 445.18702 210.5
[M+K]+ 466.11636 204.1
[M+H-H2O]+ 410.15046 190.7
[M+HCOO]- 472.15140 225.0
[M+CH3COO]- 486.16705 228.6
[M+Na-2H]- 448.12787 202.9
[M]+ 427.15265 205.8
[M]- 427.15375 205.8
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.