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]+ 264.043746 155.0
[M+Na]+ 286.025688 165.0
[M-H]- 262.029194 162.7
[M+NH4]+ 281.070293 171.5
[M+K]+ 301.999628 164.5
[M+H-H2O]+ 246.033730 149.2
[M+HCOO]- 308.034671 172.3
[M+CH3COO]- 322.050321 168.2
[M+Na-2H]- 284.011136 157.7
[M]+ 263.03592142 159.9
[M]- 263.03701858 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.