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 187.2
[M+Na]+ 391.10870 193.6
[M-H]- 367.11220 195.0
[M+NH4]+ 386.15330 197.3
[M+K]+ 407.08264 190.1
[M+H-H2O]+ 351.11674 177.7
[M+HCOO]- 413.11768 202.4
[M+CH3COO]- 427.13333 212.0
[M+Na-2H]- 389.09415 186.8
[M]+ 368.11893 193.0
[M]- 368.12003 193.0
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.