CID 3076723

Brn 4257776

Structural Information

Molecular Formula
C14H26N4OS
SMILES
CCCCN(CCCC)CC(=O)NC1=NN=C(S1)CC
InChI
InChI=1S/C14H26N4OS/c1-4-7-9-18(10-8-5-2)11-12(19)15-14-17-16-13(6-3)20-14/h4-11H2,1-3H3,(H,15,17,19)
InChIKey
IIEHOWGKHUGEHD-UHFFFAOYSA-N
Compound name
2-(dibutylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.18274 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.19002 173.1
[M+Na]+ 321.17196 177.9
[M-H]- 297.17546 174.8
[M+NH4]+ 316.21656 188.3
[M+K]+ 337.14590 175.5
[M+H-H2O]+ 281.18000 164.1
[M+HCOO]- 343.18094 190.8
[M+CH3COO]- 357.19659 211.0
[M+Na-2H]- 319.15741 171.7
[M]+ 298.18219 178.9
[M]- 298.18329 178.9
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.