CID 2447511

326014-92-0

Structural Information

Molecular Formula
C10H10N2O3S
SMILES
COC1=CC=C(C=C1)OCC2=NNC(=S)O2
InChI
InChI=1S/C10H10N2O3S/c1-13-7-2-4-8(5-3-7)14-6-9-11-12-10(16)15-9/h2-5H,6H2,1H3,(H,12,16)
InChIKey
RMGYHGUVGLHBIF-UHFFFAOYSA-N
Compound name
5-[(4-methoxyphenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5
Patents

238.04121 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04849 150.1
[M+Na]+ 261.03043 163.0
[M+NH4]+ 256.07503 157.3
[M+K]+ 277.00437 157.4
[M-H]- 237.03393 153.0
[M+Na-2H]- 259.01588 155.9
[M]+ 238.04066 153.1
[M]- 238.04176 153.1
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

patents stripe