CID 87176790

Pyrazole derivative 26

Structural Information

Molecular Formula
C25H17Cl3F3N7O
SMILES
C1CC(C1)(C2=NN=C(O2)C3=NN(C(=C3CN4C=NC=N4)C5=CC=C(C=C5)Cl)C6=C(C=C(C=C6)Cl)Cl)C(F)(F)F
InChI
InChI=1S/C25H17Cl3F3N7O/c26-15-4-2-14(3-5-15)21-17(11-37-13-32-12-33-37)20(36-38(21)19-7-6-16(27)10-18(19)28)22-34-35-23(39-22)24(8-1-9-24)25(29,30)31/h2-7,10,12-13H,1,8-9,11H2
InChIKey
MXDYVLWGDAKEMQ-UHFFFAOYSA-N
Compound name
2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)pyrazol-3-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

593.0512 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 594.05848 210.0
[M+Na]+ 616.04042 220.8
[M+NH4]+ 611.08502 211.1
[M+K]+ 632.01436 218.6
[M-H]- 592.04392 210.5
[M+Na-2H]- 614.02587 216.8
[M]+ 593.05065 211.5
[M]- 593.05175 211.5
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