CID 4386837

2-(4-ethoxyphenyl)-5-[(2-phenyl-1,3-dioxolan-2-yl)methylsulfanyl]-1,3,4-oxadiazole

Structural Information

Molecular Formula
C20H20N2O4S
SMILES
CCOC1=CC=C(C=C1)C2=NN=C(O2)SCC3(OCCO3)C4=CC=CC=C4
InChI
InChI=1S/C20H20N2O4S/c1-2-23-17-10-8-15(9-11-17)18-21-22-19(26-18)27-14-20(24-12-13-25-20)16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3
InChIKey
RFJMRUUSWRPXCJ-UHFFFAOYSA-N
Compound name
2-(4-ethoxyphenyl)-5-[(2-phenyl-1,3-dioxolan-2-yl)methylsulfanyl]-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.11438 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.12166 185.8
[M+Na]+ 407.10360 194.3
[M-H]- 383.10710 198.6
[M+NH4]+ 402.14820 196.6
[M+K]+ 423.07754 193.9
[M+H-H2O]+ 367.11164 178.5
[M+HCOO]- 429.11258 201.2
[M+CH3COO]- 443.12823 197.1
[M+Na-2H]- 405.08905 186.4
[M]+ 384.11383 192.5
[M]- 384.11493 192.5
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.