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]+ 343.111096 178.8
[M+Na]+ 365.093038 187.7
[M-H]- 341.096544 186.2
[M+NH4]+ 360.137643 189.9
[M+K]+ 381.066978 183.1
[M+H-H2O]+ 325.101080 170.2
[M+HCOO]- 387.102021 194.1
[M+CH3COO]- 401.117671 189.6
[M+Na-2H]- 363.078486 178.6
[M]+ 342.10327142 183.6
[M]- 342.10436858 183.6
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.