CID 882876

Ethyl 1,3-diphenyl-1h-pyrazole-4-carboxylate

Structural Information

Molecular Formula
C18H16N2O2
SMILES
CCOC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H16N2O2/c1-2-22-18(21)16-13-20(15-11-7-4-8-12-15)19-17(16)14-9-5-3-6-10-14/h3-13H,2H2,1H3
InChIKey
UWEPGNDDAIRWGC-UHFFFAOYSA-N
Compound name
ethyl 1,3-diphenylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

292.1212 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.128476 168.0
[M+Na]+ 315.110418 175.8
[M-H]- 291.113924 175.4
[M+NH4]+ 310.155023 181.9
[M+K]+ 331.084358 171.1
[M+H-H2O]+ 275.118460 158.0
[M+HCOO]- 337.119401 190.0
[M+CH3COO]- 351.135051 179.5
[M+Na-2H]- 313.095866 170.9
[M]+ 292.12065142 169.7
[M]- 292.12174858 169.7
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

patents stripe