CID 135465458

[1,1'-biphenyl]-4-ol, 3-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]-3',5'-difluoro-

Structural Information

Molecular Formula
C20H19F2N3O2
SMILES
C1CCC(CC1)NC2=NN=C(O2)C3=C(C=CC(=C3)C4=CC(=CC(=C4)F)F)O
InChI
InChI=1S/C20H19F2N3O2/c21-14-8-13(9-15(22)11-14)12-6-7-18(26)17(10-12)19-24-25-20(27-19)23-16-4-2-1-3-5-16/h6-11,16,26H,1-5H2,(H,23,25)
InChIKey
UUMCAPMGVSXPJH-UHFFFAOYSA-N
Compound name
2-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]-4-(3,5-difluorophenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.14453 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.15181 186.4
[M+Na]+ 394.13375 193.2
[M-H]- 370.13725 193.4
[M+NH4]+ 389.17835 194.8
[M+K]+ 410.10769 187.2
[M+H-H2O]+ 354.14179 173.8
[M+HCOO]- 416.14273 201.9
[M+CH3COO]- 430.15838 195.0
[M+Na-2H]- 392.11920 185.9
[M]+ 371.14398 180.9
[M]- 371.14508 180.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.