CID 103580688

1803589-38-9

Structural Information

Molecular Formula
C9H16N4OS
SMILES
CCC1=NN=C(S1)NC(=O)C(C)C(C)N
InChI
InChI=1S/C9H16N4OS/c1-4-7-12-13-9(15-7)11-8(14)5(2)6(3)10/h5-6H,4,10H2,1-3H3,(H,11,13,14)
InChIKey
QCTPEXURVHLNSM-UHFFFAOYSA-N
Compound name
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.10448 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.111756 152.3
[M+Na]+ 251.093698 158.5
[M-H]- 227.097204 153.2
[M+NH4]+ 246.138303 169.2
[M+K]+ 267.067638 156.6
[M+H-H2O]+ 211.101740 144.7
[M+HCOO]- 273.102681 168.4
[M+CH3COO]- 287.118331 193.9
[M+Na-2H]- 249.079146 150.7
[M]+ 228.10393142 152.8
[M]- 228.10502858 152.8
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.