CID 1945431

2-{[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-n,n-dimethylacetamide

Structural Information

Molecular Formula
C12H13N3O3S
SMILES
CN(C)C(=O)CSC1=NN=C(O1)C2=CC=C(C=C2)O
InChI
InChI=1S/C12H13N3O3S/c1-15(2)10(17)7-19-12-14-13-11(18-12)8-3-5-9(16)6-4-8/h3-6,16H,7H2,1-2H3
InChIKey
BTYCZMQSJHWBNW-UHFFFAOYSA-N
Compound name
2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

279.06775 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.07503 161.8
[M+Na]+ 302.05697 172.9
[M+NH4]+ 297.10157 168.2
[M+K]+ 318.03091 168.6
[M-H]- 278.06047 165.0
[M+Na-2H]- 300.04242 167.0
[M]+ 279.06720 164.6
[M]- 279.06830 164.6
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.