CID 15956858

Ethyl 5-(2-naphthyl)-2-[3-(trifluoromethyl)-2-pyridyl]pyrazole-3-carboxylate

Structural Information

Molecular Formula
C22H16F3N3O2
SMILES
CCOC(=O)C1=CC(=NN1C2=C(C=CC=N2)C(F)(F)F)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C22H16F3N3O2/c1-2-30-21(29)19-13-18(16-10-9-14-6-3-4-7-15(14)12-16)27-28(19)20-17(22(23,24)25)8-5-11-26-20/h3-13H,2H2,1H3
InChIKey
CXQZFFSLPDGLNP-UHFFFAOYSA-N
Compound name
ethyl 5-naphthalen-2-yl-2-[3-(trifluoromethyl)pyridin-2-yl]pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

411.11948 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.12676 197.5
[M+Na]+ 434.10870 208.0
[M-H]- 410.11220 201.4
[M+NH4]+ 429.15330 206.4
[M+K]+ 450.08264 200.4
[M+H-H2O]+ 394.11674 183.9
[M+HCOO]- 456.11768 212.7
[M+CH3COO]- 470.13333 206.4
[M+Na-2H]- 432.09415 199.5
[M]+ 411.11893 198.3
[M]- 411.12003 198.3
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

patents stripe