CID 3076716

Brn 4252368

Structural Information

Molecular Formula
C9H16N4OS
SMILES
CCCC1=NN=C(S1)NC(=O)CN(C)C
InChI
InChI=1S/C9H16N4OS/c1-4-5-8-11-12-9(15-8)10-7(14)6-13(2)3/h4-6H2,1-3H3,(H,10,12,14)
InChIKey
KWLTXQCZHXBOHM-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

228.10448 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.111756 151.4
[M+Na]+ 251.093698 158.5
[M-H]- 227.097204 154.1
[M+NH4]+ 246.138303 169.5
[M+K]+ 267.067638 157.2
[M+H-H2O]+ 211.101740 143.4
[M+HCOO]- 273.102681 170.7
[M+CH3COO]- 287.118331 196.1
[M+Na-2H]- 249.079146 152.3
[M]+ 228.10393142 155.4
[M]- 228.10502858 155.4
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

patents stripe