CID 15956870

2-[5-(2-benzyloxy-5-methoxy-phenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C23H18F3N3O2
SMILES
COC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=CC=NN3C4=C(C=CC=N4)C(F)(F)F
InChI
InChI=1S/C23H18F3N3O2/c1-30-17-9-10-21(31-15-16-6-3-2-4-7-16)18(14-17)20-11-13-28-29(20)22-19(23(24,25)26)8-5-12-27-22/h2-14H,15H2,1H3
InChIKey
CLYYYFXXKQEGER-UHFFFAOYSA-N
Compound name
2-[5-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

425.1351 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.14238 200.7
[M+Na]+ 448.12432 209.6
[M-H]- 424.12782 206.2
[M+NH4]+ 443.16892 207.6
[M+K]+ 464.09826 202.1
[M+H-H2O]+ 408.13236 185.8
[M+HCOO]- 470.13330 216.4
[M+CH3COO]- 484.14895 209.0
[M+Na-2H]- 446.10977 201.7
[M]+ 425.13455 200.3
[M]- 425.13565 200.3
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