CID 32587

24664-52-6

Structural Information

Molecular Formula
C20H19N3O3
SMILES
CCOC(=O)C1=CC=C(C=C1)N=CC2=C(NN(C2=O)C3=CC=CC=C3)C
InChI
InChI=1S/C20H19N3O3/c1-3-26-20(25)15-9-11-16(12-10-15)21-13-18-14(2)22-23(19(18)24)17-7-5-4-6-8-17/h4-13,22H,3H2,1-2H3
InChIKey
RLAOSFVYZNBJRV-UHFFFAOYSA-N
Compound name
ethyl 4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.14264 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.149916 182.7
[M+Na]+ 372.131858 190.8
[M-H]- 348.135364 190.6
[M+NH4]+ 367.176463 194.3
[M+K]+ 388.105798 185.3
[M+H-H2O]+ 332.139900 172.3
[M+HCOO]- 394.140841 205.6
[M+CH3COO]- 408.156491 214.2
[M+Na-2H]- 370.117306 183.8
[M]+ 349.14209142 185.2
[M]- 349.14318858 185.2
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.