CID 3061066

Ethyl ((5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-yl)thio)acetate

Structural Information

Molecular Formula
C20H20N2O3S
SMILES
CCOC(=O)CSC1=NN=C(O1)C(CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H20N2O3S/c1-2-24-18(23)14-26-20-22-21-19(25-20)17(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3
InChIKey
MZHLZNRNGNAXQN-UHFFFAOYSA-N
Compound name
ethyl 2-[[5-(1,2-diphenylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.11948 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.12676 185.2
[M+Na]+ 391.10870 198.6
[M+NH4]+ 386.15330 192.1
[M+K]+ 407.08264 191.5
[M-H]- 367.11220 190.8
[M+Na-2H]- 389.09415 193.2
[M]+ 368.11893 189.2
[M]- 368.12003 189.2
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.