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]+ 280.075026 161.8
[M+Na]+ 302.056968 170.2
[M-H]- 278.060474 167.5
[M+NH4]+ 297.101573 176.0
[M+K]+ 318.030908 168.7
[M+H-H2O]+ 262.065010 153.9
[M+HCOO]- 324.065951 179.1
[M+CH3COO]- 338.081601 198.6
[M+Na-2H]- 300.042416 163.0
[M]+ 279.06720142 167.2
[M]- 279.06829858 167.2
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.