CID 3065349

Succinamic acid, n-(1,3,4-thiadiazol-2-yl)-, 2-(diethylamino)ethyl ester

Structural Information

Molecular Formula
C12H20N4O3S
SMILES
CCN(CC)CCOC(=O)CCC(=O)NC1=NN=CS1
InChI
InChI=1S/C12H20N4O3S/c1-3-16(4-2)7-8-19-11(18)6-5-10(17)14-12-15-13-9-20-12/h9H,3-8H2,1-2H3,(H,14,15,17)
InChIKey
NTGHEJDZMXUBHJ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1256 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.13288 169.9
[M+Na]+ 323.11482 175.6
[M+NH4]+ 318.15942 174.4
[M+K]+ 339.08876 172.0
[M-H]- 299.11832 168.9
[M+Na-2H]- 321.10027 171.7
[M]+ 300.12505 170.2
[M]- 300.12615 170.2
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.