CID 3033668

1,3,4-oxadiazole-2-thiol, 5-(1,2-bis(p-methoxyphenyl)ethyl)-

Structural Information

Molecular Formula
C18H18N2O3S
SMILES
COC1=CC=C(C=C1)CC(C2=CC=C(C=C2)OC)C3=NNC(=S)O3
InChI
InChI=1S/C18H18N2O3S/c1-21-14-7-3-12(4-8-14)11-16(17-19-20-18(24)23-17)13-5-9-15(22-2)10-6-13/h3-10,16H,11H2,1-2H3,(H,20,24)
InChIKey
AGUJSKLFOKUXKG-UHFFFAOYSA-N
Compound name
5-[1,2-bis(4-methoxyphenyl)ethyl]-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.10382 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11110 178.6
[M+Na]+ 365.09304 192.9
[M+NH4]+ 360.13764 185.5
[M+K]+ 381.06698 186.1
[M-H]- 341.09654 184.1
[M+Na-2H]- 363.07849 186.2
[M]+ 342.10327 182.7
[M]- 342.10437 182.7
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.