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]+ 229.11176 152.3
[M+Na]+ 251.09370 158.5
[M-H]- 227.09720 153.2
[M+NH4]+ 246.13830 169.2
[M+K]+ 267.06764 156.6
[M+H-H2O]+ 211.10174 144.7
[M+HCOO]- 273.10268 168.4
[M+CH3COO]- 287.11833 193.9
[M+Na-2H]- 249.07915 150.7
[M]+ 228.10393 152.8
[M]- 228.10503 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.