CID 488288

2-[4-(4,5-dihydro-1,2,4-oxadiazol-5-yl)phenyl]-2,2-difluoro-1-(4-phenylphenyl)ethanol

Structural Information

Molecular Formula
C22H18F2N2O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(C(C3=CC=C(C=C3)C4N=CNO4)(F)F)O
InChI
InChI=1S/C22H18F2N2O2/c23-22(24,19-12-10-18(11-13-19)21-25-14-26-28-21)20(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14,20-21,27H,(H,25,26)
InChIKey
UYAUVWSYUCLNDX-UHFFFAOYSA-N
Compound name
2-[4-(2,5-dihydro-1,2,4-oxadiazol-5-yl)phenyl]-2,2-difluoro-1-(4-phenylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.13364 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.14092 187.1
[M+Na]+ 403.12286 192.7
[M-H]- 379.12636 192.4
[M+NH4]+ 398.16746 193.9
[M+K]+ 419.09680 186.3
[M+H-H2O]+ 363.13090 175.1
[M+HCOO]- 425.13184 199.6
[M+CH3COO]- 439.14749 194.9
[M+Na-2H]- 401.10831 188.6
[M]+ 380.13309 181.4
[M]- 380.13419 181.4
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

No patent data available for this compound.