CID 699789

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

Structural Information

Molecular Formula
C11H9N3O3S
SMILES
CC(=O)NC1=NN=C(S1)C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C11H9N3O3S/c1-6(15)12-11-14-13-10(18-11)7-2-3-8-9(4-7)17-5-16-8/h2-4H,5H2,1H3,(H,12,14,15)
InChIKey
WNWLFORQFBCYBX-UHFFFAOYSA-N
Compound name
N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.03647 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.04375 155.0
[M+Na]+ 286.02569 165.0
[M-H]- 262.02919 162.7
[M+NH4]+ 281.07029 171.5
[M+K]+ 301.99963 164.5
[M+H-H2O]+ 246.03373 149.2
[M+HCOO]- 308.03467 172.3
[M+CH3COO]- 322.05032 168.2
[M+Na-2H]- 284.01114 157.7
[M]+ 263.03592 159.9
[M]- 263.03702 159.9
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.