CID 3240175

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

Structural Information

Molecular Formula
C20H20N2O6S
SMILES
COC1=CC=CC(=C1)C(=O)CSC2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C20H20N2O6S/c1-24-14-7-5-6-12(8-14)15(23)11-29-20-22-21-19(28-20)13-9-16(25-2)18(27-4)17(10-13)26-3/h5-10H,11H2,1-4H3
InChIKey
UMMHFRCRBXOGPG-UHFFFAOYSA-N
Compound name
1-(3-methoxyphenyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

416.10422 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.11150 196.2
[M+Na]+ 439.09344 205.1
[M-H]- 415.09694 205.3
[M+NH4]+ 434.13804 204.9
[M+K]+ 455.06738 203.1
[M+H-H2O]+ 399.10148 186.8
[M+HCOO]- 461.10242 212.7
[M+CH3COO]- 475.11807 223.0
[M+Na-2H]- 437.07889 194.7
[M]+ 416.10367 208.3
[M]- 416.10477 208.3
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.