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]+ 350.14992 183.1
[M+Na]+ 372.13186 190.2
[M-H]- 348.13536 192.1
[M+NH4]+ 367.17646 195.2
[M+K]+ 388.10580 186.7
[M+H-H2O]+ 332.13990 172.4
[M+HCOO]- 394.14084 206.4
[M+CH3COO]- 408.15649 216.2
[M+Na-2H]- 370.11731 184.3
[M]+ 349.14209 187.0
[M]- 349.14319 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.