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 178.8
[M+Na]+ 365.09304 187.7
[M-H]- 341.09654 186.2
[M+NH4]+ 360.13764 189.9
[M+K]+ 381.06698 183.1
[M+H-H2O]+ 325.10108 170.2
[M+HCOO]- 387.10202 194.1
[M+CH3COO]- 401.11767 189.6
[M+Na-2H]- 363.07849 178.6
[M]+ 342.10327 183.6
[M]- 342.10437 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.