CID 3074028

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

Structural Information

Molecular Formula
C15H18N4O3S
SMILES
CCN(CC)CC(=O)NC1=NN=C(S1)C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C15H18N4O3S/c1-3-19(4-2)8-13(20)16-15-18-17-14(23-15)10-5-6-11-12(7-10)22-9-21-11/h5-7H,3-4,8-9H2,1-2H3,(H,16,18,20)
InChIKey
JWBZNCCUMRHPTN-UHFFFAOYSA-N
Compound name
N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-(diethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.10995 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.11723 176.3
[M+Na]+ 357.09917 185.5
[M+NH4]+ 352.14377 182.8
[M+K]+ 373.07311 183.0
[M-H]- 333.10267 181.5
[M+Na-2H]- 355.08462 179.4
[M]+ 334.10940 179.2
[M]- 334.11050 179.2
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.