CID 161918

1-(n-(4-methoxyphenyl)benzimidoyl)-5-methyl-3-pyrazolecarboxylate

Structural Information

Molecular Formula
C20H19N3O3
SMILES
CC1=CC(=NN1C(=NC2=CC=C(C=C2)OC)C3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C20H19N3O3/c1-14-13-18(20(24)26-3)22-23(14)19(15-7-5-4-6-8-15)21-16-9-11-17(25-2)12-10-16/h4-13H,1-3H3
InChIKey
RIFZRGGEQMMLFO-UHFFFAOYSA-N
Compound name
methyl 1-[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]-5-methylpyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.14264 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.149916 183.1
[M+Na]+ 372.131858 190.2
[M-H]- 348.135364 192.1
[M+NH4]+ 367.176463 195.2
[M+K]+ 388.105798 186.7
[M+H-H2O]+ 332.139900 172.4
[M+HCOO]- 394.140841 206.4
[M+CH3COO]- 408.156491 216.2
[M+Na-2H]- 370.117306 184.3
[M]+ 349.14209142 187.0
[M]- 349.14318858 187.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.