CID 3076717

Brn 4252387

Structural Information

Molecular Formula
C9H16N4OS
SMILES
CCN(CC)CC(=O)NC1=NN=C(S1)C
InChI
InChI=1S/C9H16N4OS/c1-4-13(5-2)6-8(14)10-9-12-11-7(3)15-9/h4-6H2,1-3H3,(H,10,12,14)
InChIKey
OPFDIOZHPDHTOF-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

228.10448 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.11176 151.4
[M+Na]+ 251.09370 158.5
[M-H]- 227.09720 154.1
[M+NH4]+ 246.13830 169.5
[M+K]+ 267.06764 157.2
[M+H-H2O]+ 211.10174 143.4
[M+HCOO]- 273.10268 170.7
[M+CH3COO]- 287.11833 196.1
[M+Na-2H]- 249.07915 152.3
[M]+ 228.10393 155.4
[M]- 228.10503 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