CID 3076724

Brn 4259732

Structural Information

Molecular Formula
C15H28N4OS
SMILES
CCCCN(CCCC)CC(=O)NC1=NN=C(S1)CCC
InChI
InChI=1S/C15H28N4OS/c1-4-7-10-19(11-8-5-2)12-13(20)16-15-18-17-14(21-15)9-6-3/h4-12H2,1-3H3,(H,16,18,20)
InChIKey
FZEMLGGKHPRIAX-UHFFFAOYSA-N
Compound name
2-(dibutylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1984 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.20568 177.4
[M+Na]+ 335.18762 181.7
[M-H]- 311.19112 178.9
[M+NH4]+ 330.23222 192.0
[M+K]+ 351.16156 179.1
[M+H-H2O]+ 295.19566 168.2
[M+HCOO]- 357.19660 194.7
[M+CH3COO]- 371.21225 214.0
[M+Na-2H]- 333.17307 175.5
[M]+ 312.19785 183.5
[M]- 312.19895 183.5
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.