CID 4224499

4-(1'-phenyl-5-trifluoromethyl-1h,1'h-(4,4')bipyrazolyl-3-yl)-benzene-1,3-diol

Structural Information

Molecular Formula
C19H13F3N4O2
SMILES
C1=CC=C(C=C1)N2C=C(C=N2)C3=C(NN=C3C4=C(C=C(C=C4)O)O)C(F)(F)F
InChI
InChI=1S/C19H13F3N4O2/c20-19(21,22)18-16(11-9-23-26(10-11)12-4-2-1-3-5-12)17(24-25-18)14-7-6-13(27)8-15(14)28/h1-10,27-28H,(H,24,25)
InChIKey
QILKXMYRDNWICE-UHFFFAOYSA-N
Compound name
4-[4-(1-phenylpyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

386.09906 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.10634 187.5
[M+Na]+ 409.08828 198.7
[M+NH4]+ 404.13288 190.5
[M+K]+ 425.06222 197.2
[M-H]- 385.09178 186.5
[M+Na-2H]- 407.07373 194.1
[M]+ 386.09851 188.5
[M]- 386.09961 188.5
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