CID 3240787

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

Structural Information

Molecular Formula
C20H20N2O5S
SMILES
CC1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C20H20N2O5S/c1-12-5-7-13(8-6-12)15(23)11-28-20-22-21-19(27-20)14-9-16(24-2)18(26-4)17(10-14)25-3/h5-10H,11H2,1-4H3
InChIKey
LZLDHNUXCUAFME-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-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

400.10928 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.11656 193.6
[M+Na]+ 423.09850 203.0
[M-H]- 399.10200 202.7
[M+NH4]+ 418.14310 203.2
[M+K]+ 439.07244 200.2
[M+H-H2O]+ 383.10654 184.4
[M+HCOO]- 445.10748 209.9
[M+CH3COO]- 459.12313 220.9
[M+Na-2H]- 421.08395 191.8
[M]+ 400.10873 204.4
[M]- 400.10983 204.4
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.