CID 6477302

1-(4-bromophenyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

Structural Information

Molecular Formula
C19H17BrN2O5S
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C19H17BrN2O5S/c1-24-15-8-12(9-16(25-2)17(15)26-3)18-21-22-19(27-18)28-10-14(23)11-4-6-13(20)7-5-11/h4-9H,10H2,1-3H3
InChIKey
SKLOLKUMVZDDAD-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

464.00415 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.01143 189.7
[M+Na]+ 486.99337 202.1
[M-H]- 462.99687 201.2
[M+NH4]+ 482.03797 201.1
[M+K]+ 502.96731 192.1
[M+H-H2O]+ 447.00141 187.8
[M+HCOO]- 509.00235 204.6
[M+CH3COO]- 523.01800 225.2
[M+Na-2H]- 484.97882 190.6
[M]+ 464.00360 218.3
[M]- 464.00470 218.3
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.