CID 3087896

Acetamide, n-(5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-

Structural Information

Molecular Formula
C13H15N3O4S
SMILES
CC(=O)NC1=NN=C(S1)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C13H15N3O4S/c1-7(17)14-13-16-15-12(21-13)8-5-9(18-2)11(20-4)10(6-8)19-3/h5-6H,1-4H3,(H,14,16,17)
InChIKey
GYZWELALUAYGTA-UHFFFAOYSA-N
Compound name
N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.07834 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.08562 170.3
[M+Na]+ 332.06756 181.3
[M+NH4]+ 327.11216 176.1
[M+K]+ 348.04150 176.6
[M-H]- 308.07106 172.0
[M+Na-2H]- 330.05301 175.1
[M]+ 309.07779 172.5
[M]- 309.07889 172.5
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.