CID 3074024

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

Structural Information

Molecular Formula
C16H18N4O3S
SMILES
C1CCN(CC1)CC(=O)NC2=NN=C(S2)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C16H18N4O3S/c21-14(9-20-6-2-1-3-7-20)17-16-19-18-15(24-16)11-4-5-12-13(8-11)23-10-22-12/h4-5,8H,1-3,6-7,9-10H2,(H,17,19,21)
InChIKey
AJGYEXFLDNFUMM-UHFFFAOYSA-N
Compound name
N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.10995 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.11723 176.4
[M+Na]+ 369.09917 186.7
[M+NH4]+ 364.14377 183.4
[M+K]+ 385.07311 183.7
[M-H]- 345.10267 182.6
[M+Na-2H]- 367.08462 180.5
[M]+ 346.10940 179.8
[M]- 346.11050 179.8
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.