CID 2055046

Akos001049847

Structural Information

Molecular Formula
C19H17ClN2O5S
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H17ClN2O5S/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
SLKICHOPYDNUOF-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-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

420.05466 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.06194 194.7
[M+Na]+ 443.04388 205.0
[M-H]- 419.04738 203.9
[M+NH4]+ 438.08848 204.4
[M+K]+ 459.01782 201.3
[M+H-H2O]+ 403.05192 186.1
[M+HCOO]- 465.05286 206.7
[M+CH3COO]- 479.06851 221.4
[M+Na-2H]- 441.02933 193.0
[M]+ 420.05411 207.2
[M]- 420.05521 207.2
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.