CID 15956847

Ethyl 5-(4-methoxyphenyl)-2-[3-(trifluoromethyl)-2-pyridyl]pyrazole-3-carboxylate

Structural Information

Molecular Formula
C19H16F3N3O3
SMILES
CCOC(=O)C1=CC(=NN1C2=C(C=CC=N2)C(F)(F)F)C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H16F3N3O3/c1-3-28-18(26)16-11-15(12-6-8-13(27-2)9-7-12)24-25(16)17-14(19(20,21)22)5-4-10-23-17/h4-11H,3H2,1-2H3
InChIKey
YONQGBKSTWRECT-UHFFFAOYSA-N
Compound name
ethyl 5-(4-methoxyphenyl)-2-[3-(trifluoromethyl)pyridin-2-yl]pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

391.11438 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.12166 189.2
[M+Na]+ 414.10360 198.6
[M-H]- 390.10710 192.1
[M+NH4]+ 409.14820 198.2
[M+K]+ 430.07754 193.3
[M+H-H2O]+ 374.11164 176.2
[M+HCOO]- 436.11258 204.8
[M+CH3COO]- 450.12823 218.6
[M+Na-2H]- 412.08905 189.4
[M]+ 391.11383 190.2
[M]- 391.11493 190.2
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

patents stripe