CID 3065345

Propionamide, n-(5-butyl-1,3,4-thiadiazol-2-yl)-

Structural Information

Molecular Formula
C9H15N3OS
SMILES
CCCCC1=NN=C(S1)NC(=O)CC
InChI
InChI=1S/C9H15N3OS/c1-3-5-6-8-11-12-9(14-8)10-7(13)4-2/h3-6H2,1-2H3,(H,10,12,13)
InChIKey
YDTBZURELBELNV-UHFFFAOYSA-N
Compound name
N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

213.09358 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10086 148.9
[M+Na]+ 236.08280 158.1
[M+NH4]+ 231.12740 155.9
[M+K]+ 252.05674 152.5
[M-H]- 212.08630 149.1
[M+Na-2H]- 234.06825 152.3
[M]+ 213.09303 150.4
[M]- 213.09413 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.