CID 854788

2-{[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one

Structural Information

Molecular Formula
C17H13FN2O3S
SMILES
COC1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H13FN2O3S/c1-22-14-8-4-11(5-9-14)15(21)10-24-17-20-19-16(23-17)12-2-6-13(18)7-3-12/h2-9H,10H2,1H3
InChIKey
VTJVOBGTZWZPAJ-UHFFFAOYSA-N
Compound name
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.06308 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.07036 176.6
[M+Na]+ 367.05230 186.4
[M-H]- 343.05580 184.1
[M+NH4]+ 362.09690 188.2
[M+K]+ 383.02624 182.4
[M+H-H2O]+ 327.06034 166.9
[M+HCOO]- 389.06128 192.7
[M+CH3COO]- 403.07693 187.9
[M+Na-2H]- 365.03775 176.7
[M]+ 344.06253 181.9
[M]- 344.06363 181.9
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.